SCHEMBL3576175

SCHEMBL3576175

C[C@H](c1cccc2ccccc12)N(CC1CN(c2c(F)cc(-c3nnn[nH]3)cc2F)CCC1c1ccccc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.35
CASR P41180 7/20 0.33
CCR5 P51681 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
SCHEMBL3576532 0.94 FFAR4 (0.35) FFAR4CASR
SCHEMBL1094793 0.91 FFAR4 (0.34) FFAR4CASRCCR5
SCHEMBL1094794 0.91 FFAR4 (0.32) FFAR4CCR5
SCHEMBL1096411 0.86 FFAR4 (0.34) FFAR4CCR5
SCHEMBL1096414 0.85 FFAR4 (0.32) FFAR4CCR5
SCHEMBL1105785 0.84 CASR (0.38) CASR
Hydrochloric Acid SCHEMBL1097422 0.83 CASR (0.39) CASR
SCHEMBL3572894 0.83 CASR (0.35) CASR
SCHEMBL3572887 0.81 KCNH2 (0.36) FFAR4CASR
SCHEMBL1095941 0.80 CASR (0.38) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 FFAR4 184/4885CASR 1/4885CCR5 542/4885

“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.