SCHEMBL21029295

SCHEMBL21029295

CC(C)(C)N1CC[C@H](c2ccc(Cl)cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.46
MC4R P32245 6/20 0.43
MC3R P41968 2/20 0.43
MC5R P33032 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
PRCP P42785 5/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 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
SCHEMBL13474730 0.85 PRCP (0.44) OPRL1MC4RPRCP
SCHEMBL29904553 0.85 PRCP (0.44) OPRL1MC4RPRCP
SCHEMBL1824551 0.81 OPRL1 (0.58) OPRL1PROKR1HTR2CHTR2B
SCHEMBL1822952 0.78 PROKR1 (0.46) OPRL1MC4RMC3RMC5RPROKR1
SCHEMBL13473961 0.77 MC4R (0.53) MC4RMC3RMC5RPRCP
SCHEMBL4969208 0.77 OPRL1 (0.64) OPRL1PROKR1HTR2AHTR2CHTR2B
SCHEMBL24775527 0.77 HSD11B1 (0.47)
SCHEMBL18741868 0.76 APLNR (0.37) OPRL1MC4RMC3RMC5RPROKR1
SCHEMBL29736498 0.75 DRD2 (0.50) PROKR1
SCHEMBL27394358 0.75 DRD2 (0.50) PROKR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 US 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-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 OPRL1 61/4885MC4R 2/4885MC3R 19/4885

“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.