SCHEMBL13003728

SCHEMBL13003728

Nc1ncc(CN2CCC(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 2/20 0.51
▸ PRKAG1 P54619 2/20 0.51
▸ PRKAA2 P54646 2/20 0.51
▸ PRKAA1 Q13131 2/20 0.51
▸ PRKAG3 Q9UGI9 2/20 0.51
▸ PRKAG2 Q9UGJ0 2/20 0.51
▸ PRKAB1 Q9Y478 2/20 0.51
▸ CYP3A4 P08684 2/20 0.47
▸ GPR6 P46095 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42

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
SCHEMBL8230823 0.88 CYP3A4 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13003715 0.87 CYP3A4 (0.43) CYP3A4KDM4EALDH1A1TDP1
SCHEMBL13003726 0.87 KDM4E (0.44) CYP3A4KDM4EALDH1A1TDP1GRIN1
SCHEMBL8419063 0.86 CYP3A4 (0.46) CYP3A4ALDH1A1TDP1
SCHEMBL8232645 0.85 HRH3 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8230521 0.85 CYP3A4 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13003731 0.85 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13409992 0.84 CYP3A4 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13392105 0.80 CYP3A4 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14188200 0.80 CYP3A4 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 10 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
WO-2007001975-A1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-01-04 — — 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-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists HRH3, HRH4, CHRM2 PRKAB2 3675/4885PRKAG1 2823/4885PRKAA2 3446/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 PRKAB2 3675/4885PRKAG1 2823/4885PRKAA2 3446/4885

“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.

Send feedback