SCHEMBL736127

SCHEMBL736127

COc1cccc(N2CC3(CCNCC3)OCC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
OPRM1 P35372 3/20 0.45
MAPT P10636 1/20 0.44
KCNH2 Q12809 1/20 0.42
FADS1 O60427 1/20 0.41
GRM2 Q14416 2/20 0.39
MGLL Q99685 1/20 0.39
ALOX5 P09917 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ROCK2 O75116 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37

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
SCHEMBL737418 0.86 SIGMAR1 (0.44) ADRB1SIGMAR1OPRM1MAPTPOLB
SCHEMBL735671 0.84 CHRNB2 (0.46) SIGMAR1OPRM1
SCHEMBL735414 0.83 ADRB1 (0.48) ADRB1SIGMAR1OPRM1MAPTKCNH2
SCHEMBL736048 0.83 SIGMAR1 (0.46) SIGMAR1OPRM1MAPTFADS1GRM2
SCHEMBL737442 0.82 SIGMAR1 (0.62) SIGMAR1OPRM1MAPTKCNH2MAPK1
SCHEMBL736347 0.80 SIGMAR1 (0.45) ADRB1SIGMAR1OPRM1MAPTKCNH2
SCHEMBL17319125 0.79 SIGMAR1 (0.76) SIGMAR1OPRM1MAPTKCNH2POLB
SCHEMBL17319061 0.78 SIGMAR1 (0.77) SIGMAR1OPRM1KCNH2
SCHEMBL735996 0.77 SIGMAR1 (0.47) ADRB1SIGMAR1OPRM1MAPTGRM2
SCHEMBL736367 0.77 OPRM1 (0.40) SIGMAR1OPRM1MAPK1ROCK2

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-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 ADRB1 87/4885SIGMAR1 11/4885OPRM1 15/4885

“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.