SCHEMBL2000379

SCHEMBL2000379

N#Cc1cc(Cl)c(N)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.48
ALB P02768 2/20 0.48
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 1/20 0.44
XDH P47989 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
VCAM1 P19320 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
AR P10275 2/20 0.33
IDO1 P14902 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL1752587 0.84 ALDH1A1 (0.50) TTRALBCA1CA2CA9
SCHEMBL22197816 0.84 TTR (0.58) TTRALBCA1CA2CA9
SCHEMBL22664414 0.77 TTR (0.48) TTRALBVCAM1ARMEN1
SCHEMBL11028824 0.77 CYP3A4 (0.37) TTRALBXDHALDH1A1CYP3A4
SCHEMBL1997670 0.75 TTR (0.48) TTRALBCA1CA2CA9
SCHEMBL2958367 0.75 TTR (0.54) TTRALBXDHALDH1A1CYP3A4
SCHEMBL1145042 0.75 AR (0.44) TTRALBALDH1A1CYP3A4VCAM1
SCHEMBL10120595 0.75 CA1 (0.44) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL988148 0.75 TTR (0.48) TTRALBCA1CA2CA9
SCHEMBL4338668 0.75 TTR (0.48) TTRALBCA1CA2CA9

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 14 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
CN-101142174-B Novel compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising the same AMOREPACIFIC CORP 2012-05-09 CN disclosed
US-7960584-B2 3-(4-t-butyl-phenyl)-N-(4-methanesulfonylamino-benzyl)-2-methyl-acrylamide; pain, migraine, arthralgia, neuralgia, neuropathies, nerve injury, skin disorder, urinary bladder hypersensitiveness, irritable bowel syndrome, fecal urgency, a respiratory disorder, irritation of skin, eye or mucous membrane AMOREPACIFIC CORPORATION (KR) 2011-06-14 US 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
US-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same AMOREPACIFIC CORPORATION (KR) 2008-09-25 US disclosed
CN-101163670-A Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist, and pharmaceutical compositions containing the same AMOREPACIFIC CORP (KR) 2008-04-16 CN disclosed
CN-101142174-A Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof; and pharmaceutical compositions comprising the same AMOREPACIFIC CORP (KR) 2008-03-12 CN disclosed
WO-2007142426-A1 NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2007-12-13 WO disclosed
EP-1862454-A1 Novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and a pharmaceutical composition containing the same Amorepacific Corporation (KR) 2007-12-05 EP disclosed
EP-1861357-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
EP-1861358-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
WO-2006101318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 WO disclosed
WO-2006101321-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 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 (2 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 TTR 1818/4885ALB 4255/4885CA1 3173/4885
US-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same TRPV1, TRPA1, TRPV5 TTR 3575/4885ALB 4476/4885CA1 2667/4885

“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.