SCHEMBL9999333

SCHEMBL9999333

OCC(O)Cc1cnc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.38
CPB2 Q96IY4 2/20 0.36
CYP3A4 P08684 1/20 0.36
KCNJ5 P48544 4/20 0.34
KCNJ3 P48549 4/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9998961 0.83 KCNJ5 (0.38) TRPV1CYP3A4KCNJ5KCNJ3
SCHEMBL9998950 0.83 TRPV1 (0.41) TRPV1CPB2CYP3A4
SCHEMBL9999347 0.83 TRPV1 (0.41) TRPV1CPB2CYP3A4
SCHEMBL9998965 0.83 KCNJ5 (0.38) TRPV1CYP3A4KCNJ5KCNJ3
SCHEMBL14692043 0.83 TRPV1 (0.41) TRPV1CPB2CYP3A4
SCHEMBL10839768 0.77 CPB2 (0.36) CPB2ALDH1A1NPSR1
SCHEMBL113168 0.77 RECQL (0.42) ALDH1A1NPSR1
SCHEMBL13018929 0.76 ALDH1A1 (0.45) CPB2ALDH1A1NPSR1
SCHEMBL1549300 0.73 ALDH1A1 (0.36) TRPV1ALDH1A1NPSR1
SCHEMBL14945105 0.73 TRPV1 (0.47) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
EP-2585446-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF Shionogi&Co., Ltd. (JP) 2013-05-01 EP disclosed
WO-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 WO disclosed
WO-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 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-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 TRPV1 1/4885CPB2 3994/4885CYP3A4 2190/4885

“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.