SCHEMBL735677

SCHEMBL735677

CN1CC2(CCN(c3ccc(O)cc3)CC2)OCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
OPRM1 P35372 3/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
HTR7 P34969 4/20 0.37
FASN P49327 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 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
SCHEMBL739199 0.84 SIGMAR1 (0.50) SIGMAR1MAPTKDM4EALDH1A1HTR7
SCHEMBL737224 0.84 SIGMAR1 (0.40) SIGMAR1OPRM1MAPTKDM4EALDH1A1
SCHEMBL736683 0.83 MAPT (0.44) SIGMAR1OPRM1MAPTKDM4EALDH1A1
SCHEMBL735292 0.83 FASN (0.44) SIGMAR1OPRM1MAPTKDM4EALDH1A1
SCHEMBL738435 0.82 FASN (0.53) SIGMAR1OPRM1MAPTKDM4EALDH1A1
SCHEMBL735357 0.81 SIGMAR1 (0.61) SIGMAR1OPRM1ALDH1A1LMNAGAA
SCHEMBL738524 0.80 MAPT (0.38) SIGMAR1OPRM1MAPTKDM4EALDH1A1
SCHEMBL736591 0.80 SIGMAR1 (0.48) SIGMAR1OPRM1MAPTKDM4EALDH1A1
SCHEMBL737605 0.79 SIGMAR1 (0.46) SIGMAR1OPRM1MAPTKDM4EALDH1A1
SCHEMBL738666 0.79 SIGMAR1 (0.59) SIGMAR1OPRM1MAPTKDM4EALDH1A1

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 15/4885MAPT 4377/4885

“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.