SCHEMBL13003666

SCHEMBL13003666

COc1ccc(NC2CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)c(NC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 4/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.44
▸ PRKAB2 O43741 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PRKAG3 Q9UGI9 1/20 0.43
▸ PRKAG2 Q9UGJ0 1/20 0.43
▸ PRKAB1 Q9Y478 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL13003645 0.89 CYP3A4 (0.48) CYP3A4
SCHEMBL13003632 0.89 CYP3A4 (0.48) CYP3A4HRH3
SCHEMBL13003706 0.86 CYP3A4 (0.51) KDM4EPOLBCYP3A4PRKAB2PRKAG1
SCHEMBL13003282 0.82 CYP3A4 (0.44) CYP3A4HRH3
SCHEMBL8420513 0.81 CYP3A4 (0.44) CYP3A4
SCHEMBL13003686 0.80 CYP3A4 (0.45) CYP3A4
SCHEMBL8225126 0.79 F10 (0.52) CYP3A4HRH3
SCHEMBL13003285 0.79 CYP3A4 (0.51) CYP3A4
SCHEMBL13003274 0.79 CYP3A4 (0.51) CYP3A4
SCHEMBL13588424 0.78 CYP3A4 (0.55) CYP3A4

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-7846946-B2 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING PLOUGH CORPORATION (US) 2010-12-07 — — US disclosed
US-7846946-B2 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING PLOUGH CORPORATION (US) 2010-12-07 — — US disclosed
US-7635705-B2 treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders; histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-22 — — US disclosed
US-7635705-B2 treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders; histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-22 — — US disclosed
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION 2009-11-19 — — US disclosed
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION 2009-11-19 — — US disclosed
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
US-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-18 — — US disclosed
US-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-18 — — US 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-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists HRH3, HRH4, CHRM2 KDM4E 3109/4885POLB 4430/4885CYP3A4 1177/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 KDM4E 3109/4885POLB 4430/4885CYP3A4 1177/4885

“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.

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