SCHEMBL2114431

SCHEMBL2114431

CC1(N2CCC(O)CC2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.39
OPRL1 P41146 8/20 0.39
OPRK1 P41145 6/20 0.35
OGFRL1 Q5TC84 1/20 0.35
TSHR P16473 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
OPRD1 P41143 4/20 0.33
CCR5 P51681 2/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2114243 0.98 OPRM1 (0.41) OPRM1OPRL1OPRK1OGFRL1TSHR
SCHEMBL2114685 0.98 OPRM1 (0.41) OPRM1OPRL1OPRK1OGFRL1TSHR
SCHEMBL2118305 0.98 OPRM1 (0.41) OPRM1OPRL1OPRK1OGFRL1TSHR
SCHEMBL2113625 0.95 OPRM1 (0.36) OPRM1OPRL1OPRK1OGFRL1TSHR
SCHEMBL2116270 0.91 GPR119 (0.36) OPRM1OPRL1TSHRGPR119CCR5
SCHEMBL2114429 0.79 OPRM1 (0.40) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL2114682 0.77 OPRM1 (0.42) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL2114240 0.77 OPRM1 (0.42) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL2118301 0.77 OPRM1 (0.42) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL4197599 0.77 CCR5 (0.44) CCR5

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 OPRM1 22/4885OPRL1 188/4885OPRK1 69/4885

“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.