SCHEMBL736441

SCHEMBL736441

O=C1COC2(CCNCC2)CN1c1cncc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.42
OPRM1 P35372 4/20 0.42
KCNH2 Q12809 2/20 0.42
OPRL1 P41146 1/20 0.35
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
TSHR P16473 1/20 0.33
ADRB1 P08588 1/20 0.33
LCAT P04180 2/20 0.32
IDH1 O75874 1/20 0.32
ELANE P08246 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
ADRA1A P35348 1/20 0.31
NPY5R Q15761 1/20 0.31
IDO1 P14902 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR1D P28221 1/20 0.30

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
SCHEMBL736154 0.81 OPRM1 (0.44) SIGMAR1OPRM1KCNH2OPRL1LCAT
SCHEMBL735671 0.80 CHRNB2 (0.46) SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL30328489 0.79 CYP11B1 (0.43) SIGMAR1OPRM1KCNH2OPRL1CYP11B1
SCHEMBL736972 0.77 OPRL1 (0.43) SIGMAR1OPRM1KCNH2OPRL1
SCHEMBL736596 0.76 SIGMAR1 (0.46) SIGMAR1OPRM1KCNH2CYP11B1CYP11B2
SCHEMBL737026 0.75 SIGMAR1 (0.47) SIGMAR1OPRM1TSHRALDH1A1
Hydrochloric Acid SCHEMBL30328138 0.74 CYP11B1 (0.38) SIGMAR1OPRM1KCNH2OPRL1CYP11B1
SCHEMBL735954 0.73 SIGMAR1 (0.40) SIGMAR1OPRM1OPRL1
Hydrochloric Acid SCHEMBL30329013 0.73 IDO1 (0.40) SIGMAR1OPRM1KCNH2OPRL1CYP11B1
SCHEMBL736873 0.73 SIGMAR1 (0.47) SIGMAR1OPRM1KCNH2NPY5RALDH1A1

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 15/4885KCNH2 308/4885

“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.