SCHEMBL1096038

SCHEMBL1096038

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CASR P41180 6/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
RORC P51449 2/20 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
SCHEMBL1105717 0.94 DPP4 (0.35) C5AR1GPR119DPP4DPP7CASR
SCHEMBL3573558 0.90 DPP4 (0.40) C5AR1DPP4DPP7CASRRORC
SCHEMBL1096581 0.86 CASR (0.37) C5AR1GPR119CASR
SCHEMBL1096488 0.85 CCR5 (0.39) CASRESR1ESR2RORC
SCHEMBL1105750 0.83 CCR5 (0.40) GPR119ESR1ESR2RORC
SCHEMBL1096020 0.83 CASR (0.34) C5AR1CASR
SCHEMBL1095505 0.83 UBE2M (0.38) GPR119
SCHEMBL1096039 0.83 DPP4 (0.34) C5AR1DPP4DPP7CASRESR1
SCHEMBL1097482 0.83 CASR (0.38) C5AR1CASR
SCHEMBL1096075 0.82 CASR (0.34) GPR119CASRRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US 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 C5AR1 1347/4885GPR119 78/4885DPP4 956/4885

“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.