SCHEMBL13003554

SCHEMBL13003554

CCCCN(C)C(=O)C1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.71
▸ KDM4E B2RXH2 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 1/20 0.56
▸ CYP2D6 P10635 4/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP3A4 P08684 5/20 0.52

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
SCHEMBL13003532 0.86 CYP3A4 (0.59) KMT2ACYP2D6MEN1TSHRCYP3A4
SCHEMBL13003547 0.84 KDM4E (0.60) KMT2AKDM4EALDH1A1CYP2D6MEN1
SCHEMBL13003534 0.80 CYP2D6 (0.60) KDM4ELMNACYP2D6CYP3A4
SCHEMBL14456892 0.79 MEN1 (0.63) KMT2AALDH1A1CYP2D6MEN1TSHR
SCHEMBL14456807 0.78 S1PR5 (0.63) KMT2AALDH1A1CYP2D6MEN1CYP3A4
SCHEMBL14456802 0.78 L3MBTL1 (0.60) KMT2AALDH1A1CYP2D6MEN1TSHR
SCHEMBL13003265 0.77 CYP3A4 (0.59) KMT2ACYP2D6MEN1TSHRCYP3A4
SCHEMBL13588422 0.77 MEN1 (0.72) KMT2AKDM4EALDH1A1CYP2D6MEN1
SCHEMBL14456954 0.75 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1CYP2D6MEN1
SCHEMBL14456748 0.75 KMT2A (0.73) KMT2AKDM4EALDH1A1CYP2D6MEN1

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 KMT2A 607/4885KDM4E 3109/4885ALDH1A1 1382/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 KMT2A 607/4885KDM4E 3109/4885ALDH1A1 1382/4885

“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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