SCHEMBL3572887

SCHEMBL3572887

C[C@H](c1cccc2ccccc12)N(CC1CCN(c2c(F)cc(-c3noc(=O)[nH]3)cc2F)CC1c1ccccc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CMKLR1 Q99788 4/20 0.35
F11 P03951 1/20 0.35
FFAR4 Q5NUL3 4/20 0.33
PTGER3 P43115 2/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 2/20 0.33
CASR P41180 2/20 0.32
MDM2 Q00987 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
SCHEMBL1096144 0.92 HDAC6 (0.35) KCNH2DPP4DPP7CMKLR1F11
SCHEMBL1096146 0.91 KCNH2 (0.32) KCNH2DPP4DPP7CMKLR1F11
SCHEMBL3576532 0.86 FFAR4 (0.35) FFAR4CASR
SCHEMBL1106039 0.85 CASR (0.39) CASR
Hydrochloric Acid SCHEMBL1097091 0.85 CASR (0.40) CASR
SCHEMBL3575203 0.82 CASR (0.35) KCNH2CASR
SCHEMBL3576175 0.81 FFAR4 (0.35) FFAR4CASR
SCHEMBL1096411 0.78 FFAR4 (0.34) FFAR4
SCHEMBL1096414 0.77 FFAR4 (0.32) FFAR4
SCHEMBL3572894 0.76 CASR (0.35) 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 KCNH2 1238/4885DPP4 956/4885DPP7 598/4885

“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.