SCHEMBL751870

SCHEMBL751870

CC(C)(C)OC(=O)N1Cc2cc(-c3ccc4ncnn4c3)ccc2C(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.57
SLC6A2 P23975 9/20 0.57
SLC6A3 Q01959 9/20 0.57
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
RET P07949 3/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
KIF11 P52732 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL30013808 1.00 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3ESR1ESR2
SCHEMBL30014480 1.00 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3ESR1ESR2
SCHEMBL15397925 0.92 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3ESR1ESR2
SCHEMBL30014286 0.87 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3ESR1ESR2
SCHEMBL30061906 0.87 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3ESR1ESR2
SCHEMBL13028658 0.81 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL25636322 0.81 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL748535 0.80 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3ESR1ESR2
SCHEMBL16279358 0.76 DDB1 (0.33) SLC6A4SLC6A2SLC6A3ESR1ESR2
SCHEMBL30013292 0.73 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4151210-A2 PYRIDINE-CARBOLINE DERIVATIVES AS MCHR1 ANTAGONISTS FOR USE IN THERAPY Harmony Biosciences, LLC (US) 2023-03-22 EP disclosed
US-20230084144-A1 THERAPEUTIC COMBINATIONS OF DRUGS AND METHODS OF USING THEM CONSYNANCE THERAPEUTICS INC (US) 2023-03-16 US disclosed
US-20230002377-A1 THERAPEUTIC COMBINATIONS OF DRUGS AND METHODS OF USING THEM HARMONY BIOSCIENCES MANAGEMENT, INC. 2023-01-05 US disclosed
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
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-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
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-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
WO-2010132487-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) 2010-11-18 WO disclosed
WO-2010132442-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 RESERCH, INC. (US) 2010-11-18 WO 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-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-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES 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
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 (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-20230084144-A1 THERAPEUTIC COMBINATIONS OF DRUGS AND METHODS OF USING THEM MCHR1, MCHR2, MC1R SLC6A4 79/4885SLC6A2 47/4885SLC6A3 37/4885
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-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
US-20230002377-A1 THERAPEUTIC COMBINATIONS OF DRUGS AND METHODS OF USING THEM MCHR1, MCHR2, MC1R SLC6A4 47/4885SLC6A2 23/4885SLC6A3 27/4885

“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.