SCHEMBL737501

SCHEMBL737501

O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.45
OPRM1 P35372 4/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 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
SCHEMBL738280 0.86 ALDH1A1 (0.45) SIGMAR1OPRM1MEN1KMT2AKCNH2
SCHEMBL735357 0.85 SIGMAR1 (0.61) SIGMAR1OPRM1KCNH2ALDH1A1HSD17B10
SCHEMBL736591 0.84 SIGMAR1 (0.48) SIGMAR1OPRM1MEN1KMT2AALDH1A1
SCHEMBL737803 0.81 SIGMAR1 (0.47) SIGMAR1OPRM1MEN1KMT2AKCNH2
SCHEMBL737008 0.79 SIGMAR1 (0.42) SIGMAR1OPRM1KCNH2GAAHTT
SCHEMBL735778 0.78 HRH3 (0.49) SIGMAR1OPRM1KCNH2ALDH1A1MAPT
SCHEMBL736579 0.78 SIGMAR1 (0.40) SIGMAR1OPRM1MEN1KMT2AALDH1A1
SCHEMBL737428 0.77 MEN1 (0.46) SIGMAR1OPRM1MEN1KMT2AKCNH2
SCHEMBL737605 0.76 SIGMAR1 (0.46) SIGMAR1OPRM1KMT2AALDH1A1MAPT
SCHEMBL735677 0.76 SIGMAR1 (0.52) SIGMAR1OPRM1ALDH1A1MAPTHSD17B10

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 15/4885MEN1 2420/4885

“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.