SCHEMBL738663

SCHEMBL738663

O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.51
TDP1 Q9NUW8 2/20 0.36
HTR7 P34969 2/20 0.36
SIGMAR1 Q99720 3/20 0.35
OPRM1 P35372 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ESR1 P03372 2/20 0.33
GFER P55789 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESRRA P11474 1/20 0.33
ESRRG P62508 1/20 0.33
ME3 Q16798 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL737742 0.99 FASN (0.50) FASNTDP1HTR7SIGMAR1OPRM1
SCHEMBL736183 0.98 FASN (0.51) FASNTDP1HTR7SIGMAR1OPRM1
SCHEMBL738435 0.96 FASN (0.53) FASNTDP1HTR7SIGMAR1OPRM1
SCHEMBL735789 0.81 FASN (0.48) FASNSIGMAR1OPRM1HRH3MAPT
SCHEMBL737496 0.81 FASN (0.47) FASNSIGMAR1OPRM1HRH3MAPT
SCHEMBL738813 0.79 FASN (0.48) FASNSIGMAR1OPRM1HRH3MAPT
SCHEMBL735677 0.79 SIGMAR1 (0.52) FASNTDP1HTR7SIGMAR1OPRM1
SCHEMBL737143 0.79 FASN (0.47) FASNHRH3
SCHEMBL736592 0.78 FASN (0.49) FASNHRH3
SCHEMBL15587566 0.78 FASN (0.77) FASNTDP1HTR7ALDH1A1GAA

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 3955/4885HTR7 273/4885

“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.