SCHEMBL8290971

SCHEMBL8290971

CCOP(=O)(Cc1cn(C)c2cccc(Cl)c12)OCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
P2RX7 Q99572 8/20 0.38
CDK2 P24941 1/20 0.37
HTR2A P28223 3/20 0.37
IL1B P01584 4/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MCL1 Q07820 3/20 0.35

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
SCHEMBL10197971 0.82 CDK2 (0.40) HTR2CHTR2BP2RX7CDK2HTR2A
SCHEMBL18508855 0.80 HTR2C (0.44) HTR2CHTR2BCDK2HTR2ACNR1
SCHEMBL8291199 0.74 KCNH2 (0.40) CDK2
SCHEMBL901666 0.74 HSD17B10 (0.41)
SCHEMBL5250114 0.72 SMN1; SMN2 (0.53)
SCHEMBL3833273 0.71 CDK2 (0.47) HTR2CHTR2BCDK2HTR2AMCL1
SCHEMBL10259878 0.70 HTR2A (0.41) HTR2CHTR2BCDK2HTR2AMCL1
SCHEMBL10197977 0.70 HTR2C (0.68) HTR2CHTR2BCDK2HTR2A
SCHEMBL1093107 0.70 GPR84 (0.42) HTR2CHTR2BP2RX7CDK2HTR2A
SCHEMBL8291193 0.70 HTR2C (0.52) HTR2CHTR2BCDK2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 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 (3 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 HTR2C 3442/4885HTR2B 2346/4885P2RX7 2137/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 HTR2C 3442/4885HTR2B 2346/4885P2RX7 2137/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 HTR2C 3442/4885HTR2B 2346/4885P2RX7 2137/4885

“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.