SCHEMBL735638

SCHEMBL735638

O=C1COC2(CCNCC2)CN1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.52
OPRM1 P35372 4/20 0.52
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP2D6 P10635 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
KCNH2 Q12809 1/20 0.40
HTR6 P50406 1/20 0.39
EPHX2 P34913 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
OPRL1 P41146 1/20 0.38
MGLL Q99685 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
SCHEMBL18719629 0.84 SIGMAR1 (0.73) SIGMAR1OPRM1CYP2D6KCNH2OPRL1
SCHEMBL1096019 0.81 TACR2 (0.48) SIGMAR1OPRM1MEN1KMT2ATSHR
SCHEMBL17318954 0.80 SIGMAR1 (0.74) SIGMAR1OPRM1KMT2ATSHRCYP2D6
Hydrochloric Acid SCHEMBL18695902 0.79 SIGMAR1 (0.72) SIGMAR1OPRM1KMT2ATSHRCYP2D6
SCHEMBL20058410 0.77 SIGMAR1 (0.47) SIGMAR1OPRM1MEN1KMT2ATSHR
SCHEMBL2446498 0.77 SIGMAR1 (0.49) SIGMAR1OPRM1MEN1KMT2ATSHR
SCHEMBL735820 0.77 SIGMAR1 (0.54) SIGMAR1OPRM1MEN1KMT2AALDH1A1
SCHEMBL738548 0.77 FASN (0.41) SIGMAR1OPRM1
SCHEMBL737442 0.76 SIGMAR1 (0.62) SIGMAR1OPRM1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL14720614 0.76 FASN (0.40) SIGMAR1OPRM1TSHR

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.