SCHEMBL2302565

SCHEMBL2302565

O=C1CC2CCC(CN1)N2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM3 P20309 1/20 0.46
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KCNH2 Q12809 3/20 0.40
OPRK1 P41145 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
SCHEMBL1992789 0.94 KMT2A (0.45) CHRM2CHRM3CHRM4CHRM5SIGMAR1
SCHEMBL3082052 0.84 CHRM2 (0.42) CHRM2CHRM3CHRM4CHRM5GSK3A
SCHEMBL16766368 0.80 CHRM2 (0.53) CHRM2CHRM3CHRM4CHRM5SIGMAR1
SCHEMBL19364501 0.80 CHRM2 (0.53) CHRM2CHRM3CHRM4CHRM5SIGMAR1
SCHEMBL707808 0.80 CHRM2 (0.53) CHRM2CHRM3CHRM4CHRM5SIGMAR1
SCHEMBL29691892 0.80 CHRM2 (0.53) CHRM2CHRM3CHRM4CHRM5SIGMAR1
SCHEMBL719296 0.80 CHRM2 (0.53) CHRM2CHRM3CHRM4CHRM5SIGMAR1
Hydrochloric Acid SCHEMBL1633577 0.79 CHRM2 (0.56) CHRM2CHRM3CHRM4CHRM5SIGMAR1
SCHEMBL6774733 0.79 SIGMAR1 (0.47) CHRM2CHRM3CHRM4CHRM5SIGMAR1
SCHEMBL928600 0.79 SIGMAR1 (0.47) CHRM2CHRM3CHRM4CHRM5SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
EP-2536730-B1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-07-08 EP disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 US disclosed
EP-2118109-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
EP-2049110-B1 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-20 EP disclosed
EP-2049110-B1 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-20 EP disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
EP-2118109-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2009-11-18 EP disclosed
US-20090239843-A1 Bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239843-A1 Bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239843-A1 Bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-7547690-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
WO-2008112473-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
US-20080227769-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
WO-2008008517-A2 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 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 (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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 CHRM2 16/4885CHRM3 11/4885CHRM4 32/4885
US-20080227769-A1 Compounds for the Treatment of Hepatitis C SLC10A1, HAVCR2, NR1H4 CHRM2 4625/4885CHRM3 3672/4885CHRM4 4557/4885
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 CHRM2 4024/4885CHRM3 4714/4885CHRM4 4072/4885
US-20090239843-A1 Bridged diazepan orexin receptor antagonists HCRTR2, HCRTR1, CRHR1 CHRM2 520/4885CHRM3 306/4885CHRM4 321/4885

“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.