SCHEMBL3776258

SCHEMBL3776258

COc1ccc2c(c1Cl)CCNC2

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.79
HTR2B P41595 8/20 0.79
HTR2A P28223 6/20 0.79
PNMT P11086 4/20 0.47
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CD44 P16070 1/20 0.41

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
SCHEMBL30471722 1.00 HTR2C (0.79) HTR2CHTR2BHTR2APNMTADRA2A
SCHEMBL21762550 0.88 HTR2C (1.00) HTR2CHTR2BHTR2APNMTADRA2A
Hydrochloric Acid SCHEMBL21753252 0.87 HTR2C (0.97) HTR2CHTR2BHTR2APNMTADRA2A
SCHEMBL6189510 0.87 HTR2C (0.79) HTR2CHTR2BHTR2APNMTADRA2A
SCHEMBL31463205 0.84 HTR2C (0.60) HTR2CHTR2BHTR2APNMTADRA2A
Hydrochloric Acid SCHEMBL31084068 0.83 HTR2C (0.58) HTR2CHTR2BHTR2APNMTADRA2A
SCHEMBL17585094 0.83 HTR2C (0.55) HTR2CHTR2BHTR2APNMTADRA2A
SCHEMBL17585098 0.83 HTR2A (0.55) HTR2CHTR2BHTR2APNMTADRA2A
SCHEMBL829320 0.81 HTR2C (0.53) HTR2CHTR2BHTR2APNMTCD44
SCHEMBL12682948 0.81 HTR2C (0.53) HTR2CHTR2BHTR2APNMTCD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
EP-3194367-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES Boehringer Ingelheim International GmbH (DE) 2017-07-26 EP disclosed
US-9340510-B2 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340510-B2 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340510-B2 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
WO-2016041845-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-24 WO disclosed
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 US disclosed
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 US disclosed
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 US disclosed
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
EP-2265587-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009105206-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-27 WO 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 (2 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-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof QDPR, RECQL, TPMT HTR2C 349/4885HTR2B 443/4885HTR2A 569/4885
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 HTR2C 37/4885HTR2B 51/4885HTR2A 18/4885

“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.