SCHEMBL737729

SCHEMBL737729

O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ME3 Q16798 5/20 0.37
ME2 P23368 4/20 0.37
ME1 P48163 4/20 0.37
SIGMAR1 Q99720 5/20 0.37
OPRM1 P35372 3/20 0.37
FASN P49327 2/20 0.34
HTR7 P34969 2/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
LIPG Q9Y5X9 1/20 0.31
DEGS1 O15121 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 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
SCHEMBL735292 0.84 FASN (0.44) ME3ME2ME1SIGMAR1OPRM1
SCHEMBL738517 0.82 SIGMAR1 (0.42) SIGMAR1OPRM1KDM4ELMNAMAPT
SCHEMBL737224 0.82 SIGMAR1 (0.40) ME3ME2ME1SIGMAR1OPRM1
SCHEMBL735820 0.81 SIGMAR1 (0.54) ME3ME2ME1SIGMAR1OPRM1
SCHEMBL735677 0.78 SIGMAR1 (0.52) SIGMAR1OPRM1FASNHTR7KDM4E
SCHEMBL736530 0.77 HRH3 (0.47)
SCHEMBL736591 0.76 SIGMAR1 (0.48) ME3ME2ME1SIGMAR1OPRM1
SCHEMBL738435 0.76 FASN (0.53) ME3SIGMAR1OPRM1FASNHTR7
SCHEMBL736683 0.75 MAPT (0.44) SIGMAR1OPRM1FASNHTR7KDM4E
SCHEMBL735357 0.75 SIGMAR1 (0.61) ME3ME2ME1SIGMAR1OPRM1

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 ME3 2491/4885ME2 2179/4885ME1 864/4885

“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.