SCHEMBL737224

SCHEMBL737224

CCCN1CC2(CCN(c3ccc(O)cc3)CC2)OCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.40
HTR7 P34969 5/20 0.39
OPRM1 P35372 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
FASN P49327 2/20 0.37
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34
ME3 Q16798 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL735292 0.90 FASN (0.44) SIGMAR1HTR7OPRM1KDM4EMAPT
SCHEMBL735677 0.84 SIGMAR1 (0.52) SIGMAR1HTR7OPRM1KDM4EMAPT
SCHEMBL737729 0.82 ME3 (0.37) SIGMAR1HTR7OPRM1KDM4EMAPT
SCHEMBL739096 0.82 SIGMAR1 (0.45) SIGMAR1OPRM1KDM4EMAPTLMNA
SCHEMBL735820 0.81 SIGMAR1 (0.54) SIGMAR1OPRM1MAPTLMNAGAA
SCHEMBL738524 0.80 MAPT (0.38) SIGMAR1HTR7OPRM1KDM4EMAPT
SCHEMBL11288206 0.79 SIGMAR1 (0.45) SIGMAR1OPRM1MAPTLMNAFASN
SCHEMBL736683 0.78 MAPT (0.44) SIGMAR1HTR7OPRM1KDM4EMAPT
SCHEMBL738435 0.77 FASN (0.53) SIGMAR1HTR7OPRM1KDM4EMAPT
SCHEMBL735769 0.76 HTR1A (0.46) SIGMAR1HTR7LMNAGAAFASN

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 11/4885HTR7 273/4885OPRM1 15/4885

“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.