SCHEMBL747812

SCHEMBL747812

Clc1ccc(C2CNCc3cccc(-c4ccc5ncnn5c4)c32)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.73
SLC6A2 P23975 17/20 0.73
SLC6A3 Q01959 17/20 0.73
TGFBR1 P36897 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL30013292 0.84 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL750446 0.84 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL748097 0.84 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL748096 0.84 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3
Hydrochloric Acid SCHEMBL2788899 0.83 SLC6A4 (0.98) SLC6A4SLC6A2SLC6A3HRH3
Hydrochloric Acid SCHEMBL750207 0.83 SLC6A4 (0.98) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL748126 0.82 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL30014278 0.82 SLC6A4 (0.84) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL24836226 0.80 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3TGFBR1HRH3
SCHEMBL30014697 0.79 SLC6A2 (0.82) SLC6A4SLC6A2SLC6A3TGFBR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429296-B1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2017-12-27 EP disclosed
US-9604960-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2017-03-28 US disclosed
US-9173879-B2 Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a ]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-9034899-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-05-19 US disclosed
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2015-05-07 US disclosed
US-20140364441-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2014-12-11 US disclosed
EP-2429293-B1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2014-10-29 EP disclosed
US-8815894-B2 Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8802696-B2 7-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoqu inoli and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-12 US disclosed
EP-2429295-B1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2013-12-25 EP disclosed
EP-2429296-A1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-03-21 EP disclosed
EP-2429293-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF Bristol-Myers Squibb Company (US) 2012-03-21 EP disclosed
EP-2429295-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-03-21 EP disclosed
WO-2010132437-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 WO disclosed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292243-A1 7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 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 (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-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF UACA, SCN1A, NLN SLC6A4 389/4885SLC6A2 264/4885SLC6A3 716/4885
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C SLC6A4 98/4885SLC6A2 64/4885SLC6A3 87/4885
US-20140364441-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF UACA, SCN1A, NLN SLC6A4 389/4885SLC6A2 264/4885SLC6A3 716/4885
US-20100292243-A1 7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF CIAPIN1, CLN6, SCN1A SLC6A4 339/4885SLC6A2 210/4885SLC6A3 553/4885
US-20150126517-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C SLC6A4 98/4885SLC6A2 64/4885SLC6A3 87/4885

“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.