SCHEMBL3886777

SCHEMBL3886777

Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 1.00
HTR2B P41595 20/20 1.00
HTR2A P28223 18/20 1.00
CYP2C9 P11712 1/20 0.72
HTR6 P50406 1/20 0.72

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
SCHEMBL8116621 0.92 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
SCHEMBL8132984 0.91 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
SCHEMBL8118145 0.90 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
SCHEMBL7543461 0.89 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
SCHEMBL7540136 0.86 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL7540345 0.86 HTR2C (1.00) HTR2CHTR2BHTR2A
Sb-243213 SCHEMBL31060820 0.84 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
Sb-243213 SCHEMBL29697170 0.84 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
Sb-243213 SCHEMBL677610 0.84 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
Sb-243213 SCHEMBL7473195 0.83 HTR2C (0.98) HTR2CHTR2BHTR2ACYP2C9HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003011281-A1 TREATMENT OF ATTENTION DEFICIT HYPERACTIVITY DISORDER OR ATTENTION DEFICIT DISORDER VERNALIS RESEARCH LIMITED (GB) 2003-02-13 WO claimed
US-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM P.L.C. 2002-03-21 US claimed
US-6313145-B1 FOR THERAPY OF ANXIETY AND/OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-06 US claimed
EP-0912556-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-10-04 EP claimed
US-8324246-B2 Indol carboxylic acid bispyridyl carboxamide derivatives, pharmaceutically acceptable salt thereof, preparation method and composition containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-04 US disclosed
US-8324246-B2 Indol carboxylic acid bispyridyl carboxamide derivatives, pharmaceutically acceptable salt thereof, preparation method and composition containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-04 US disclosed
US-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 US disclosed
US-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 US disclosed
WO-2009125923-A2 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 WO disclosed
EP-2108649-A1 Novel indol carboxylic acid bispyridyl carboxamide derivatives as 5-HT2c receptor antagonists Korea Research Institute of Chemical Technology (KR) 2009-10-14 EP disclosed
EP-1251829-A4 ELECTROSPUN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
WO-2003011281-A1 TREATMENT OF ATTENTION DEFICIT HYPERACTIVITY DISORDER OR ATTENTION DEFICIT DISORDER VERNALIS RESEARCH LIMITED (GB) 2003-02-13 WO disclosed
US-20030017208-A1 Electrospun pharmaceutical compositions SMITHKLINE BEECHAM CORPORATION 2003-01-23 US disclosed
EP-1251829-A1 ELECTROSPUN PHARMACEUTICAL COMPOSITIONS SmithKline Beecham Corporation (US) 2002-10-30 EP disclosed
US-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM P.L.C. 2002-03-21 US disclosed
US-6313145-B1 FOR THERAPY OF ANXIETY AND/OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-06 US disclosed
WO-2001054667-A1 ELECTROSPUN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-08-02 WO disclosed
EP-0912556-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-10-04 EP disclosed
EP-0912556-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1997048700-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 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-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT HTR2C, HTR5A, HTR2A HTR2C 1/4885HTR2B 8/4885HTR2A 3/4885
US-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists HTR2C, HTR1A, HTR1D HTR2C 1/4885HTR2B 17/4885HTR2A 10/4885

“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.