SCHEMBL2116267

SCHEMBL2116267

CC1(N2CCC([O])CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
KCNH2 Q12809 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL2113622 0.90 OPRM1 (0.36) CCR5OPRM1OPRL1
SCHEMBL2114240 0.88 OPRM1 (0.42) CCR5OPRM1OPRL1
SCHEMBL2118301 0.88 OPRM1 (0.42) CCR5OPRM1OPRL1
SCHEMBL10519854 0.80
SCHEMBL23268045 0.79 PHGDH (0.33) CCR5OPRM1OPRL1
SCHEMBL2116270 0.77 GPR119 (0.36) CCR5OPRM1OPRL1KCNH2
Hydrochloric Acid SCHEMBL25388926 0.75 GNAI3 (0.35) OPRM1OPRL1
SCHEMBL10190116 0.72 PHGDH (0.32) OPRM1OPRL1
SCHEMBL18560284 0.71
SCHEMBL25389501 0.71 CCR5 (0.44) CCR5KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 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 (1 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-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 CCR5 1321/4885OPRM1 22/4885OPRL1 188/4885

“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.