SCHEMBL737008

SCHEMBL737008

O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1ccc(F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
OPRM1 P35372 3/20 0.42
DEGS1 O15121 4/20 0.34
SSTR5 P35346 3/20 0.34
FASN P49327 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KCNJ1 P48048 1/20 0.31
MAP3K11 Q16584 1/20 0.31
KCNH2 Q12809 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
SCHEMBL736591 0.85 SIGMAR1 (0.48) SIGMAR1OPRM1DEGS1TDP1LMNA
SCHEMBL736579 0.85 SIGMAR1 (0.40) SIGMAR1OPRM1DEGS1FASNLMNA
SCHEMBL736345 0.84 OPRM1 (0.40) SIGMAR1OPRM1JAK2JAK1HTT
SCHEMBL738556 0.83 SIGMAR1 (0.49) SIGMAR1OPRM1LMNAHTT
SCHEMBL735357 0.82 SIGMAR1 (0.61) SIGMAR1OPRM1DRD4LMNAGAA
SCHEMBL735954 0.81 SIGMAR1 (0.40) SIGMAR1OPRM1SSTR5
SCHEMBL737803 0.80 SIGMAR1 (0.47) SIGMAR1OPRM1LMNACYP3A4CYP2C9
SCHEMBL738279 0.80 HRH3 (0.47) SIGMAR1OPRM1DRD2DRD3LMNA
SCHEMBL736566 0.79 HRH3 (0.49) SIGMAR1OPRM1DRD2DRD3CYP3A4
SCHEMBL737501 0.79 SIGMAR1 (0.45) SIGMAR1OPRM1FASNGAAHTT

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 11/4885OPRM1 15/4885DEGS1 1892/4885

“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.