SCHEMBL738435

SCHEMBL738435

O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.53
TDP1 Q9NUW8 1/20 0.39
SIGMAR1 Q99720 5/20 0.37
OPRM1 P35372 4/20 0.37
HTR7 P34969 2/20 0.35
GFER P55789 2/20 0.35
ME3 Q16798 2/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
KCNH2 Q12809 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL738663 0.96 FASN (0.51) FASNTDP1SIGMAR1OPRM1HTR7
SCHEMBL736183 0.96 FASN (0.51) FASNTDP1SIGMAR1OPRM1HTR7
SCHEMBL737742 0.95 FASN (0.50) FASNTDP1SIGMAR1OPRM1HTR7
SCHEMBL735677 0.82 SIGMAR1 (0.52) FASNTDP1SIGMAR1OPRM1HTR7
SCHEMBL15587566 0.81 FASN (0.77) FASNTDP1HTR7ALDH1A1MAPT
SCHEMBL737209 0.80 FASN (0.50) FASNSIGMAR1OPRM1KDM4EALDH1A1
SCHEMBL15534602 0.79 FASN (0.68) FASNHTR7GFERALDH1A1MAPT
SCHEMBL736683 0.79 MAPT (0.44) FASNTDP1SIGMAR1OPRM1HTR7
SCHEMBL735357 0.79 SIGMAR1 (0.61) SIGMAR1OPRM1GFERME3ALDH1A1
SCHEMBL735292 0.79 FASN (0.44) FASNSIGMAR1OPRM1HTR7ME3

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 FASN 4745/4885TDP1 3955/4885SIGMAR1 11/4885

“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.