SCHEMBL5539083

SCHEMBL5539083

CCNC(C)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.47
KCNH2 Q12809 1/20 0.47
TSHR P16473 1/20 0.46
CYP2D6 P10635 1/20 0.45
KCNE1 P15382 1/20 0.45
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
SCN8A Q9UQD0 1/20 0.41
ADORA2A P29274 1/20 0.41
CHRM2 P08172 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP3A4 P08684 1/20 0.40
EGFR P00533 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL12812606 0.85 KCNA5 (0.49) KCNA5KCNH2TSHRCYP2D6KCNE1
SCHEMBL9005813 0.80 ALDH1A1 (0.51) TSHRCYP2D6CYP1A2ALDH1A1ADORA2A
SCHEMBL22342850 0.80 POLB (0.50) KCNA5KCNH2TSHRCYP2D6CYP1A2
SCHEMBL5349302 0.79 SLC6A2 (0.48) KCNA5KCNH2TSHRCYP2D6KCNE1
SCHEMBL27727457 0.79 KCNA5 (0.46) KCNA5KCNH2TSHRCYP2D6KCNE1
SCHEMBL6268899 0.79 KCNA5 (0.46) KCNA5KCNH2TSHRCYP2D6KCNE1
SCHEMBL11367296 0.79 KCNA5 (0.42) KCNA5KCNH2TSHRCYP2D6KCNE1
SCHEMBL19583590 0.79 KCNA5 (0.40) KCNA5KCNH2TSHRCYP2D6KCNE1
SCHEMBL29471914 0.79 KCNA5 (0.40) KCNA5KCNH2TSHRCYP2D6KCNE1
SCHEMBL13081517 0.78 SLC6A2 (0.47) KCNA5KCNH2TSHRCYP2D6KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 US disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-7482359-B2 Androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US disclosed
US-20070269405-A1 Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2007-11-22 US disclosed
EP-1846419-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-24 EP disclosed
CN-1997656-A Metal complexes MERCK PATENT GMBH (DE) 2007-07-11 CN disclosed
WO-2006086449-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 WO disclosed
US-5616613-A ANTITUMOR AGENTS; ISOMERS; STABLE IN WATER, SOLUBLE FOR INTRAVENOUS INJECTION TORAY INDUSTRIES, INC. (JP) 1997-04-01 US disclosed
EP-0518645-B1 Platinum (II) complex and antitumor agent TORAY INDUSTRIES (JP) 1997-01-15 EP disclosed
EP-0704453-A1 NOVEL PLATINUM (II) COMPLEX AND REMEDY FOR MALIGNANT TUMOR TORAY INDUSTRIES, INC. (JP) 1996-04-03 EP disclosed
US-5348950-A Side effect reduction TORAY INDUSTRIES, INC. (JP) 1994-09-20 US disclosed
EP-0518645-A1 Platinum (II) complex and antitumor agent TORAY INDUSTRIES, INC. (JP) 1992-12-16 EP 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 (4 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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR KCNA5 2026/4885KCNH2 2397/4885TSHR 228/4885
US-20070269405-A1 Androgen Receptor Modulators AR, SHBG, FSHR KCNA5 4520/4885KCNH2 4263/4885TSHR 503/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR KCNA5 2026/4885KCNH2 2397/4885TSHR 228/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR KCNA5 1484/4885KCNH2 1331/4885TSHR 185/4885

“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.