SCHEMBL738845

SCHEMBL738845

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N3CCC4(CC3)CN(c3ccccc3)C(=O)CO4)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.50
HRH3 Q9Y5N1 1/20 0.45
OPRM1 P35372 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
KDM1A O60341 1/20 0.41
USP30 Q70CQ3 1/20 0.41
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL736561 0.87 GPR119 (0.43) GPR119HRH3NPBWR1MCHR1
SCHEMBL736539 0.87 GPR119 (0.42) GPR119HRH3NPBWR1MCHR1
SCHEMBL738670 0.86 GPR119 (0.49) GPR119HRH3NPBWR1MCHR1
SCHEMBL17325169 0.85 SIGMAR1 (0.56) GPR119OPRM1SIGMAR1USP30
SCHEMBL735848 0.81 HRH3 (0.50) HRH3OPRM1SIGMAR1
SCHEMBL737490 0.77 SIGMAR1 (0.58) OPRM1SIGMAR1
SCHEMBL5239182 0.77 GPR119 (0.63) GPR119
SCHEMBL23410150 0.76 GPR119 (0.61) GPR119USP30
SCHEMBL738185 0.75 HRH3 (0.47) HRH3
SCHEMBL5268593 0.74 GPR119 (0.65) GPR119KDM1AUSP30

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 GPR119 314/4885HRH3 2/4885OPRM1 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.