SCHEMBL3572894

SCHEMBL3572894

C[C@H](c1cccc2ccccc12)N(CC1CN(c2c(F)cc(C#N)cc2F)CCC1c1ccccc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.35
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL3575203 0.94 CASR (0.35) CASR
SCHEMBL1094613 0.91 ESR1 (0.34) CASRESR1ESR2
SCHEMBL1094614 0.90 ESR1 (0.33) CASRESR1ESR2
SCHEMBL1096395 0.85 ESR1 (0.34) CASRESR1ESR2
SCHEMBL1096396 0.84 ESR1 (0.33) CASRESR1ESR2
SCHEMBL3576175 0.83 FFAR4 (0.35) CASR
SCHEMBL4100788 0.81 GRIA2 (0.44) CASR
SCHEMBL1095412 0.80 CASR (0.39) CASR
SCHEMBL1096442 0.79 CASR (0.36) CASRESR1ESR2
SCHEMBL3573546 0.78 CASR (0.39) 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 CASR 1/4885ESR1 1384/4885ESR2 1866/4885

“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.