SCHEMBL443241

SCHEMBL443241

Fc1cccc2s[c]cc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
SLC9A1 P19634 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
PRNP P04156 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
G6PD P11413 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
SCHEMBL20895243 0.83 SLC9A1 (0.40) SLC9A1ALDH1A1KDM4E
SCHEMBL2097672 0.74
SCHEMBL16289162 0.74 ALOX15 (0.38) SMN1; SMN2ALDH1A1POLBKDM4ENPC1
SCHEMBL767071 0.74 CYP1A2 (0.44) SLC9A1ALDH1A1GAAMEN1LMNA
SCHEMBL5538525 0.74 AHR (0.33) SLC9A1
SCHEMBL20895231 0.74 RIPK1 (0.42) SLC9A1ALDH1A1
SCHEMBL143443 0.74 SLC9A1 (0.38) SMN1; SMN2SLC9A1ALDH1A1POLBKDM4E
SCHEMBL18889257 0.74 SLC9A1 (0.41) SLC9A1
SCHEMBL20895102 0.71 ALDH1A1 (0.36) ALDH1A1GAALMNAL3MBTL1MAPT
SCHEMBL20895112 0.71 SLC9A1 (0.44) SLC9A1KDM4EMEN1KMT2AMAPT

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 102 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-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 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-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US claimed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 US claimed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US claimed
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 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
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US claimed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US claimed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO 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
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP claimed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO claimed
US-20200113896-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARM LLC (US) 2020-04-16 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
US-5304657-A Insecticides ISHIHARA SANGYO KAISHA LTD. (JP) 1994-04-19 US 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 (8 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-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 SMN1; SMN2 4696/4885SLC9A1 4020/4885ALDH1A1 3885/4885
US-20200113896-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY MTOR, ULK1, RICTOR SMN1; SMN2 2564/4885SLC9A1 3911/4885ALDH1A1 4213/4885
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 SMN1; SMN2 2528/4885SLC9A1 1088/4885ALDH1A1 777/4885
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents NOD2, BAK1, CASP3 SMN1; SMN2 4696/4885SLC9A1 4020/4885ALDH1A1 3885/4885
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS PIR, BAK1, TMBIM6 SMN1; SMN2 4520/4885SLC9A1 4429/4885ALDH1A1 3228/4885
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 SMN1; SMN2 4696/4885SLC9A1 4020/4885ALDH1A1 3885/4885
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 SMN1; SMN2 3583/4885SLC9A1 1092/4885ALDH1A1 954/4885
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R SMN1; SMN2 4558/4885SLC9A1 765/4885ALDH1A1 1544/4885

“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.