SCHEMBL1105997

SCHEMBL1105997

Cc1cc(C(F)(F)F)c(C(=O)O)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.54
GABRA5 P31644 3/20 0.45
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
RBP4 P02753 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL27743600 0.87 ASPH (0.43) ASPHGABRA5RBP4CYP3A4CYP2C9
SCHEMBL26333848 0.84 ASPH (0.41) ASPHGABRA5RBP4CYP3A4CYP2C9
SCHEMBL3785183 0.81 ASPH (0.54) ASPHGABRA5GABRPGABRDGABRA1
SCHEMBL20320529 0.81 MAPT (0.45) ASPHCES2
SCHEMBL12302078 0.81 MAPT (0.55) NOTUMKDM4EKMT2A
SCHEMBL16454312 0.81 KMT2A (0.46) ASPHCYP3A4CYP2C9CYP2C19CES2
SCHEMBL1536029 0.80 ASPH (0.53) ASPHGABRA5SORT1NOTUMKDM4E
SCHEMBL28183587 0.80 MAPT (0.44) ASPHSORT1CES2KMT2A
SCHEMBL28065181 0.80 MAPT (0.45) ASPHGABRA5CES2KDM4EKMT2A
SCHEMBL6376354 0.80 ASPH (0.49) ASPHGABRA5GABRPGABRDGABRA1

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 4 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-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 ASPH 610/4885GABRA5 481/4885GABRP 685/4885

“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.