SCHEMBL3773279

SCHEMBL3773279

CCNC(=Cc1ccc(C(F)(F)F)nc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.39
TRPV1 Q8NER1 1/20 0.38
HDAC4 P56524 1/20 0.36
DGAT1 O75907 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
AKR1C3 P42330 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL3113886 0.79 TBXAS1 (0.47) P2RX7TRPV1HDAC4DGAT1TRPV4
SCHEMBL3113876 0.79 TBXAS1 (0.47) P2RX7TRPV1HDAC4DGAT1TRPV4
SCHEMBL3469578 0.79 AKR1C3 (0.47) P2RX7TRPV1HDAC4DGAT1TRPV4
SCHEMBL3469572 0.79 AKR1C3 (0.47) P2RX7TRPV1HDAC4DGAT1TRPV4
SCHEMBL3784123 0.78 MAPT (0.42) P2RX7
SCHEMBL3784121 0.78 MAPT (0.42) P2RX7
SCHEMBL4448438 0.73 MRGPRX4 (0.42) P2RX7HDAC4MRGPRX4PLAAT3PLAAT5
SCHEMBL4448442 0.73 MRGPRX4 (0.42) P2RX7HDAC4MRGPRX4PLAAT3PLAAT5
SCHEMBL4448435 0.73 MRGPRX4 (0.42) P2RX7HDAC4MRGPRX4PLAAT3PLAAT5
SCHEMBL6630042 0.73 AKR1C3 (0.50) AKR1C3

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
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 WO 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 P2RX7 73/4885TRPV1 1/4885HDAC4 3237/4885

“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.