SCHEMBL3575203

SCHEMBL3575203

C[C@H](c1cccc2ccccc12)N(CC1CCN(c2c(F)cc(C#N)cc2F)CC1c1ccccc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.35
CCR5 P51681 3/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL3572894 0.94 CASR (0.35) CASR
SCHEMBL1096395 0.91 ESR1 (0.34) CASRCCR5DRD3KCNH2
SCHEMBL1096396 0.90 ESR1 (0.33) CASRCCR5DRD3KCNH2
SCHEMBL1094613 0.85 ESR1 (0.34) CASRCCR5DRD3KCNH2
SCHEMBL1094614 0.84 ESR1 (0.33) CASRCCR5DRD3KCNH2
SCHEMBL3576532 0.83 FFAR4 (0.35) CASR
SCHEMBL3573546 0.82 CASR (0.39) CASR
SCHEMBL3572887 0.82 KCNH2 (0.36) CASRKCNH2
SCHEMBL4100788 0.81 GRIA2 (0.44) CASRKCNH2
SCHEMBL1096063 0.80 CASR (0.39) CASRCCR5

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 CASR 1/4885CCR5 542/4885DRD3 510/4885

“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.