SCHEMBL21036775

SCHEMBL21036775

COC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 5/20 0.44
FPR2 P25090 3/20 0.44
PRCP P42785 4/20 0.43
MC4R P32245 4/20 0.42
HTR2C P28335 2/20 0.41
KCNH2 Q12809 1/20 0.41
ROCK2 O75116 1/20 0.40
HTR2A P28223 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
SCHEMBL21036774 1.00 FPR1 (0.44) FPR1FPR2PRCPMC4RHTR2C
Hydrochloric Acid SCHEMBL20994326 0.99 FPR1 (0.43) FPR1FPR2PRCPMC4RHTR2C
SCHEMBL29327388 0.87 MC4R (0.54) FPR1FPR2PRCPMC4RHTR2C
SCHEMBL1920424 0.87 MC4R (0.54) FPR1FPR2PRCPMC4RHTR2C
SCHEMBL1921102 0.87 MC4R (0.54) FPR1FPR2PRCPMC4RHTR2C
SCHEMBL12533727 0.87 MC4R (0.54) FPR1FPR2PRCPMC4RHTR2C
SCHEMBL8223289 0.85 PRCP (0.45) FPR1FPR2PRCPMC4RHTR2C
SCHEMBL684171 0.85 PRCP (0.45) FPR1FPR2PRCPMC4RHTR2C
SCHEMBL1920197 0.85 FPR1 (0.48) FPR1FPR2MC4RKCNH2
SCHEMBL29904547 0.84 PRCP (0.46) FPR1FPR2PRCPMC4RHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489231-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2021-06-09 EP disclosed
US-10710988-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2020-07-14 US disclosed
US-20190202815-A1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2019-07-04 US disclosed
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 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 (2 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-10710988-B2 Piperazine derivative GPR4, MC4R, TRPC4 FPR1 469/4885FPR2 340/4885PRCP 1156/4885
US-20190202815-A1 PIPERAZINE DERIVATIVE GPR4, MC4R, TRPC4 FPR1 469/4885FPR2 340/4885PRCP 1156/4885

“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.