SCHEMBL132209

SCHEMBL132209

c1ccc(Cc2ccnnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CALM1 P0DP23 1/20 0.44
HTR2C P28335 1/20 0.44
MAOB P27338 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 4/20 0.37
HTR2B P41595 1/20 0.37
CD74 P04233 1/20 0.37
MIF P14174 1/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36

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
SCHEMBL27850208 0.82
Phenol SCHEMBL27698302 0.77 LTA4H (0.49) CALM1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL2129775 0.77 ALDH1A1 (0.52) ALDH1A1CALM1HTR2CMAOBRAB9A
SCHEMBL27601987 0.76 LTA4H (0.47) ALDH1A1RAB9ASMN1; SMN2MIFLMNA
SCHEMBL29002890 0.76 LOXL2 (0.43) ALDH1A1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL30850470 0.75 ALDH1A1 (0.46) ALDH1A1CALM1HTR2CMAOBRAB9A
SCHEMBL1307703 0.75 ALDH1A1 (0.46) ALDH1A1CALM1HTR2CMAOBRAB9A
SCHEMBL9412319 0.73 HSPA5 (0.52) ALDH1A1TAAR1TSHRCYP2D6HPGD
SCHEMBL7690769 0.73
SCHEMBL8781506 0.69 CALM1 (0.42) ALDH1A1CALM1HTR2CMAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024022502-A1 α-SUBSTITUTED BENZYL-TRIAZINE COMPOUND, PREPARATION METHOD THEREFOR, USE THEREOF, AND HERBICIDE 江西天宇化工有限公司 2024-02-01 WO claimed
CN-117466831-A Alpha-substituted benzyl-triazine compound, preparation method and application thereof, and herbicide 江西天宇化工有限公司 2024-01-30 CN claimed
CN-108335912-A A kind of dye-sensitized solar cells quasi-solid electrolyte 浙江夏远信息技术有限公司 2018-07-27 CN claimed
EP-1904069-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2018-06-13 EP claimed
US-9499531-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2016-11-22 US claimed
US-20150274713-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN CURIA GLOBAL, INC. 2015-10-01 US claimed
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-9096546-B2 Aryl- and heteroaryl-substituted tetrahydrobenzo-1,4-diazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-08-04 US 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-9045468-B2 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US claimed
US-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders AMR TECHNOLOGY, INC. (US) 2008-08-28 US claimed
EP-1904069-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2008-04-02 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
WO-2007011820-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2007-01-25 WO claimed
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse AMR TECHNOLOGY, INC. (US) 2007-01-25 US claimed
US-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. 2006-03-23 US 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-0410590-B1 Pyrimidinyl herbicides AGREVO UK LTD (GB) 1994-06-22 EP claimed
EP-0410590-A1 Pyrimidinyl herbicides AgrEvo UK Limited (GB) 1991-01-30 EP claimed

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

For each of this compound's patents that has machine-readable text (5 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-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin SLC6A3, SLC6A4, SLC6A2 ALDH1A1 984/4885CALM1 3195/4885HTR2C 8/4885
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 ALDH1A1 777/4885CALM1 1469/4885HTR2C 4/4885
US-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders OPRL1, HTR1B, HTR3C ALDH1A1 587/4885CALM1 776/4885HTR2C 5/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 ALDH1A1 533/4885CALM1 906/4885HTR2C 10/4885
US-20150274713-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 ALDH1A1 954/4885CALM1 3333/4885HTR2C 6/4885

“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.