SCHEMBL455834

SCHEMBL455834

Fc1c[c]cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP2A6 P11509 5/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP1A2 P05177 4/20 0.36
▸ NQO2 P16083 1/20 0.32
▸ HPGD P15428 3/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ EGFR P00533 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1392866 0.74 — —
SCHEMBL4474923 0.73 CYP1A2 (0.54) HPRT1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL385307 0.73 HSD17B1 (0.31) NPC1MEN1RAB9AKMT2AKDM4E
SCHEMBL5828625 0.73 CYP1A2 (0.38) ALDH1A1CYP2A6CYP1A2MEN1KMT2A
SCHEMBL148866 0.71 CYP2A6 (0.52) HPRT1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL2252185 0.71 ALDH1A1 (0.52) HPRT1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL457506 0.71 ALDH1A1 (0.38) HPRT1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL456099 0.71 ALDH1A1 (0.38) HPRT1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL455474 0.71 CYP2A6 (0.52) HPRT1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL457820 0.71 BACE1 (0.38) ALDH1A1CYP2A6HSD17B10TSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 260 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 — — EP claimed
US-9085531-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-21 — — US claimed
US-20140243524-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-28 — — US claimed
US-8741901-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-03 — — US claimed
US-20130005965-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-03 — — US claimed
US-8236796-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-07 — — US claimed
US-8227486-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-24 — — US claimed
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-10-08 — — US claimed
US-7541357-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin AMR TECHNOLOGY, INC. (US) 2009-06-02 — — US claimed
US-20090048443-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-02-19 — — US claimed
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 — — EP claimed
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride CURIA GLOBAL, INC. 2006-03-09 — — US claimed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 — — WO claimed
US-11931412-B2 JAK1 inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2024-03-19 — — US disclosed
CN-112117384-B Organic electroluminescent material and application thereof 北京鼎材科技有限公司 2024-01-23 — — CN disclosed
EP-3595072-B1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTIC SOLUTIONS, NON-AQUEOUS ELECTROLYTIC SOLUTION, AND ELECTRICAL STORAGE DEVICE SUMITOMO SEIKA CHEMICALS (JP) 2023-10-04 — — EP disclosed
WO-1995014028-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1995-05-26 — — WO disclosed
EP-0621273-A1 NOVEL SULFONIC ACIDE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-10-26 — — EP disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 — — US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride OPRK1, OPRL1, OPRD1 HPRT1 1890/4885ALDH1A1 777/4885CYP2A6 536/4885
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 HPRT1 252/4885ALDH1A1 954/4885CYP2A6 742/4885
US-20130005965-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 HPRT1 252/4885ALDH1A1 954/4885CYP2A6 742/4885
US-20090048443-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A2, SLC6A3 HPRT1 231/4885ALDH1A1 1013/4885CYP2A6 740/4885
US-11931412-B2 JAK1 inhibitors and uses thereof JAK1, JAK3, JAK2 HPRT1 1279/4885ALDH1A1 1366/4885CYP2A6 4099/4885
US-20140243524-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 HPRT1 252/4885ALDH1A1 954/4885CYP2A6 742/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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