SCHEMBL3573558

SCHEMBL3573558

C[C@H](c1cccc2ccccc12)N(CC1CN(C(=O)C(F)(F)F)CCC1c1ccccc1F)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
CASR P41180 13/20 0.35
HRH3 Q9Y5N1 1/20 0.34
C5AR1 P21730 1/20 0.34
RORC P51449 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
SCHEMBL1096039 0.90 DPP4 (0.34) DPP4DPP7CASRHRH3C5AR1
SCHEMBL1096038 0.90 C5AR1 (0.35) DPP4DPP7CASRC5AR1RORC
SCHEMBL4076516 0.84 CCR5 (0.41) DPP4DPP7CASRRORC
SCHEMBL4106033 0.83 CCR5 (0.40) CASRRORC
SCHEMBL1105717 0.83 DPP4 (0.35) DPP4DPP7CASRC5AR1RORC
SCHEMBL1096133 0.83 CASR (0.42) CASR
SCHEMBL3576277 0.79 SSTR4 (0.38)
SCHEMBL1105770 0.78 CASR (0.42) CASR
SCHEMBL1096581 0.78 CASR (0.37) CASRC5AR1
SCHEMBL3570472 0.77 SSTR4 (0.38)

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 DPP4 956/4885DPP7 598/4885CASR 1/4885

“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.