SCHEMBL13003561

SCHEMBL13003561

O=C(Nc1cc(Cl)cc(Cl)c1)NC1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.55
▸ CXCR3 P49682 1/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ DRD4 P21917 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.50
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2D6 P10635 3/20 0.49
▸ DCUN1D1 Q96GG9 2/20 0.49
▸ UBE2M P61081 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL13003487 0.91 DRD2 (0.56) EPHX2KMT2ADRD2DRD4DRD3
SCHEMBL13003562 0.89 CYP3A4 (0.50) EPHX2CXCR3KMT2ADRD2DRD4
SCHEMBL13588413 0.84 DCUN1D1 (0.49) EPHX2KMT2ADRD2DRD4DRD3
SCHEMBL13003422 0.82 DRD4 (0.58) DRD4CYP3A4CYP2D6
SCHEMBL13003433 0.81 CYP3A4 (0.58) DRD4SIGMAR1CYP3A4CYP2D6DCUN1D1
SCHEMBL14433853 0.81 KMT2A (0.79) CXCR3KMT2ADRD2DRD4DRD3
SCHEMBL8232629 0.81 SIGMAR1 (0.53) KMT2AMEN1SIGMAR1CYP3A4CYP2D6
SCHEMBL8230719 0.81 CYP3A4 (0.52) SIGMAR1CYP3A4CYP2D6ALDH1A1
SCHEMBL13003507 0.80 SIGMAR1 (0.57) SIGMAR1CYP3A4CYP2D6
SCHEMBL13003428 0.80 DRD4 (0.53) KMT2ADRD4MEN1SIGMAR1CYP3A4

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 EPHX2 304/4885CXCR3 254/4885KMT2A 607/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 EPHX2 304/4885CXCR3 254/4885KMT2A 607/4885

“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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