SCHEMBL738272

SCHEMBL738272

COc1ccc(N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
OPRM1 P35372 3/20 0.44
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SCN9A Q15858 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PTGS1 P23219 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGS2 P35354 1/20 0.40
POLB P06746 1/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL737490 0.87 SIGMAR1 (0.58) SIGMAR1OPRM1KMT2AALDH1A1USP2
SCHEMBL737803 0.86 SIGMAR1 (0.47) SIGMAR1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL736347 0.84 SIGMAR1 (0.45) SIGMAR1OPRM1FFAR4ALDH1A1LMNA
SCHEMBL737212 0.84 SIGMAR1 (0.39) SIGMAR1OPRM1FFAR4KMT2AALDH1A1
SCHEMBL738280 0.82 ALDH1A1 (0.45) SIGMAR1OPRM1KMT2AALDH1A1USP2
SCHEMBL737605 0.82 SIGMAR1 (0.46) SIGMAR1OPRM1KMT2AALDH1A1USP2
SCHEMBL737260 0.82 HRH3 (0.48) SIGMAR1OPRM1HTR2CHTR2BKCNH2
SCHEMBL736260 0.81 SIGMAR1 (0.52) SIGMAR1OPRM1ALDH1A1LMNAKCNH2
SCHEMBL736452 0.78 KDM4E (0.48) SIGMAR1OPRM1KMT2APOLBALDH1A1
SCHEMBL736984 0.78 SIGMAR1 (0.55) SIGMAR1OPRM1KMT2AMAPK1LMNA

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 SIGMAR1 11/4885OPRM1 15/4885SLC6A2 971/4885

“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.