SCHEMBL3783385

SCHEMBL3783385

C=CC(=O)N(Cc1ccccc1)c1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
POLB P06746 1/20 0.62
TRPM8 Q7Z2W7 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL7776521 0.80 POLB (0.71) TSHRPOLBTRPM8SMN1; SMN2KMT2A
SCHEMBL7742741 0.79 TSHR (0.43) TSHRPOLBTRPM8SMN1; SMN2KMT2A
SCHEMBL27847921 0.78 TRPM8 (0.64) TRPM8SMN1; SMN2ALDH1A1
SCHEMBL28996726 0.76 TSHR (0.42) TSHRPOLBTRPM8SMN1; SMN2KMT2A
SCHEMBL22187005 0.76 ALDH1A1 (0.54) TSHRPOLBTRPM8SMN1; SMN2KMT2A
SCHEMBL174073 0.76 KMT2A (0.49) TSHRPOLBTRPM8SMN1; SMN2KMT2A
SCHEMBL22100750 0.76 TRPM8 (0.76) TSHRPOLBTRPM8SMN1; SMN2KMT2A
SCHEMBL10270953 0.74 TRPM8 (1.00) POLBTRPM8SMN1; SMN2KMT2AMEN1
SCHEMBL295841 0.73 LMNA (0.53) TSHRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL29075996 0.73 POLB (0.69) TSHRPOLBTRPM8SMN1; SMN2KMT2A

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 TSHR 2155/4885POLB 4833/4885TRPM8 11/4885

“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.