SCHEMBL736591

SCHEMBL736591

O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
OPRM1 P35372 3/20 0.48
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL735357 0.89 SIGMAR1 (0.61) SIGMAR1OPRM1CA12CA1CA2
SCHEMBL737803 0.88 SIGMAR1 (0.47) SIGMAR1OPRM1MEN1KMT2AMAPK1
SCHEMBL737008 0.85 SIGMAR1 (0.42) SIGMAR1OPRM1LMNAHTTTDP1
SCHEMBL737605 0.85 SIGMAR1 (0.46) SIGMAR1OPRM1KMT2AALDH1A1MAPT
SCHEMBL737501 0.84 SIGMAR1 (0.45) SIGMAR1OPRM1MEN1KMT2AALDH1A1
SCHEMBL736579 0.83 SIGMAR1 (0.40) SIGMAR1OPRM1MEN1KMT2AALDH1A1
SCHEMBL14463230 0.82 SIGMAR1 (0.53) SIGMAR1OPRM1LMNANPC1TP53
SCHEMBL737590 0.81 SIGMAR1 (0.55) SIGMAR1OPRM1LMNANPC1RAB9A
SCHEMBL735677 0.80 SIGMAR1 (0.52) SIGMAR1OPRM1MAPK1ALDH1A1MAPT
SCHEMBL736347 0.79 SIGMAR1 (0.45) SIGMAR1OPRM1ALDH1A1MAPTLMNA

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 15/4885CA12 3790/4885

“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.