SCHEMBL2948501

SCHEMBL2948501

C=Cc1cc(C(C)NC(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.41
TRPV1 Q8NER1 1/20 0.39
CTSK P43235 3/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.36
ABCB1 P08183 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSS P25774 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 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
SCHEMBL2948498 1.00 AAK1 (0.41) AAK1TRPV1CTSKMAPTKMT2A
SCHEMBL17524450 0.84 CTSK (0.38) AAK1TRPV1CTSKMAPTKMT2A
SCHEMBL2957560 0.81 AAK1 (0.43) AAK1CTSKMAPTKMT2AABCB1
SCHEMBL2959098 0.81 AAK1 (0.43) AAK1CTSKMAPTKMT2AABCB1
SCHEMBL13238821 0.81 TRPA1 (0.36) AAK1CTSKMAPTKMT2ATSHR
SCHEMBL2958073 0.81 TRPA1 (0.36) AAK1CTSKMAPTKMT2ATSHR
SCHEMBL2955086 0.80 TRPV1 (0.61) TRPV1MAPTHSD17B10
SCHEMBL2955085 0.80 TRPV1 (0.61) TRPV1MAPTHSD17B10
SCHEMBL27552474 0.80 HPGD (0.44) AAK1CTSKABCB1TSHRHSD17B10
SCHEMBL13238806 0.79 TRPV1 (0.50) TRPV1CTSKMAPTABCB1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed
US-7763657-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-07-27 US disclosed
US-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-04-23 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-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, VIPR1 AAK1 998/4885TRPV1 1/4885CTSK 2535/4885

“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.