SCHEMBL8338300

SCHEMBL8338300

Cc1cc(Cl)nnc1N1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.76
MAPK1 P28482 2/20 0.61
KDM4E B2RXH2 2/20 0.61
MAPT P10636 2/20 0.61
KIT P10721 4/20 0.56
EPHX2 P34913 3/20 0.56
POLB P06746 1/20 0.53
PI4KB Q9UBF8 1/20 0.52

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
SCHEMBL8338212 0.87 TRPV1 (1.00) TRPV1KDM4EMAPTKIT
SCHEMBL8338144 0.84 TRPV1 (1.00) TRPV1MAPK1KDM4EMAPTKIT
SCHEMBL8336910 0.83 TRPV1 (1.00) TRPV1MAPT
SCHEMBL8338303 0.82 TRPV1 (0.63) TRPV1MAPK1KDM4EMAPTKIT
SCHEMBL14423770 0.78 TRPV1 (0.69) TRPV1KDM4EMAPTKIT
SCHEMBL13407141 0.78 TRPV1 (0.76) TRPV1MAPK1KDM4EMAPTKIT
SCHEMBL12230326 0.74 MAPK1 (1.00) TRPV1MAPK1KDM4EMAPTKIT
SCHEMBL4558228 0.74 EPHX2 (0.91) TRPV1EPHX2POLB
SCHEMBL4262868 0.73 TRPV1 (0.77) TRPV1KIT
SCHEMBL2914930 0.73 PDGFRB (0.82) KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696207-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-04-13 US disclosed
US-7696207-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-04-13 US disclosed
US-20080200472-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-08-21 US disclosed
US-20080200472-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-08-21 US disclosed
US-7262194-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-08-28 US disclosed
US-7262194-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-08-28 US disclosed
WO-2004011441-A1 PYRIDAZINYLPIPERAZINE DERIVATIVES FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2004-02-05 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-20080200472-A1 Therapeutic agents useful for treating pain HRH2, OPRL1, TRPV1 TRPV1 3/4885MAPK1 1619/4885KDM4E 3626/4885

“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.