SCHEMBL9999442

SCHEMBL9999442

C=CCc1cnc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
ALDH1A1 P00352 7/20 0.34
NPSR1 Q6W5P4 4/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH2 P05091 1/20 0.33
GAA P10253 1/20 0.33
GABRA1 P14867 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GABRB2 P47870 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.32

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
SCHEMBL3629369 0.82 ALDH1A1 (0.39) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL9998881 0.81 ALDH1A1 (0.36) XDHALDH1A1NPSR1PPARGPPARD
SCHEMBL9999277 0.81 ALDH1A1 (0.33) XDHALDH1A1NPSR1PPARGPPARD
SCHEMBL9056439 0.78 DHFR (0.32) XDHALDH1A1NPSR1PTGDRPTGDR2
SCHEMBL11991438 0.77 PIK3CD (0.42) XDH
SCHEMBL10840981 0.75 ALDH1A1 (0.36) ALDH1A1NPSR1MAPTKDM4EMEN1
SCHEMBL1141323 0.74 ALDH1A1 (0.42) ALDH1A1NPSR1MAPTTDP1
SCHEMBL30833526 0.74 ALDH1A1 (0.42) ALDH1A1NPSR1MAPTTDP1
SCHEMBL6681689 0.74 ALDH1A1 (0.38) XDHALDH1A1NPSR1PPARGPPARD
SCHEMBL1549300 0.73 ALDH1A1 (0.36) ALDH1A1NPSR1MAPTKDM4EMEN1

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 XDH 2311/4885ALDH1A1 1526/4885NPSR1 104/4885

“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.