SCHEMBL735829

SCHEMBL735829

O=C1COC2(CCNCC2)CN1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.39
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HSD11B1 P28845 4/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL736458 0.98 FASN (0.39) FASNHRH3ALDH1A1CYP2C19
SCHEMBL738551 0.95 FASN (0.39) FASNHRH3CYP2C19
SCHEMBL736814 0.92 FASN (0.43) FASN
Hydrochloric Acid SCHEMBL4538069 0.91 FASN (0.42) FASN
SCHEMBL3229014 0.79 HRH3 (0.36) HRH3ALDH1A1POLBGAAHSD11B1
Hydrochloric Acid SCHEMBL15534379 0.75 FASN (0.56) FASN
SCHEMBL737742 0.73 FASN (0.50) FASNHRH3ALDH1A1GAALMNA
SCHEMBL736592 0.72 FASN (0.49) FASNHRH3
SCHEMBL738663 0.71 FASN (0.51) FASNHRH3ALDH1A1GAA
SCHEMBL737906 0.71 SIGMAR1 (0.49)

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 4745/4885HRH3 2/4885ALDH1A1 1242/4885

“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.