SCHEMBL724375

SCHEMBL724375

CN[C@H]1CCN(C2CCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
SIGMAR1 Q99720 3/20 0.35
HRH4 Q9H3N8 11/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL1999934 1.00 DPP4 (0.38) DPP4SIGMAR1HRH4HRH3
SCHEMBL725303 1.00 DPP4 (0.38) DPP4SIGMAR1HRH4HRH3
SCHEMBL13874789 0.98 DPP4 (0.40) DPP4SIGMAR1HRH4
SCHEMBL12568620 0.98 DPP4 (0.40) DPP4SIGMAR1HRH4
SCHEMBL9699059 0.98 DPP4 (0.40) DPP4SIGMAR1HRH4
SCHEMBL3637362 0.96 HRH3 (0.36) DPP4SIGMAR1HRH4HRH3
SCHEMBL21386066 0.91 HRH4 (0.34) HRH4HRH3
SCHEMBL12568618 0.89 SIGMAR1 (0.37) SIGMAR1HRH4
SCHEMBL9927923 0.89 SIGMAR1 (0.37) SIGMAR1HRH4
SCHEMBL9927934 0.88 SIGMAR1 (0.40) DPP4SIGMAR1HRH4

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
EP-1669350-B1 PIPERIDINE DERIVATIVES MSD KK (JP) 2012-02-29 EP disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-7834182-B2 histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20090203710-A1 Novel piperidine derivative MSD K.K. (JP) 2009-08-13 US disclosed
US-7547693-B2 Such as N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(piperidin-1-yl)piperidin-1-yl]benzamide; histamine h3-antagonists BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-06-16 US disclosed
US-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE GRAUERT MATTHIAS 2009-04-09 US disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US disclosed
EP-1669350-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 EP 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 (5 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-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 DPP4 376/4885SIGMAR1 1315/4885HRH4 144/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 DPP4 1642/4885SIGMAR1 121/4885HRH4 2/4885
US-20070105901-A1 Novel piperidine derivative HRH3, OPRM1, OPRK1 DPP4 291/4885SIGMAR1 39/4885HRH4 4/4885
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 DPP4 376/4885SIGMAR1 1315/4885HRH4 144/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 DPP4 260/4885SIGMAR1 38/4885HRH4 3/4885

“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.