SCHEMBL619986

SCHEMBL619986

O=C1CC2(CCC2)Oc2c(OC(F)F)cccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.38
KDM4E B2RXH2 3/20 0.37
ATM Q13315 2/20 0.36
HTT P42858 1/20 0.36
SIGMAR1 Q99720 1/20 0.33
DRD1 P21728 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL5723115 0.80 KDM4E (0.46) TRPM8KDM4EATMHTTALDH1A1
SCHEMBL5723473 0.78 KDM4E (0.47) TRPM8KDM4EATMHTTALDH1A1
SCHEMBL620525 0.75 KDM4E (0.42) TRPM8KDM4EATMHTTSIGMAR1
SCHEMBL619893 0.75 TRPM8 (0.54) TRPM8KDM4EATMHTTSIGMAR1
SCHEMBL21807581 0.73 PARP1 (0.46) KDM4EHTTDRD1ALDH1A1
SCHEMBL618038 0.71 KDM4E (0.49) KDM4EATMHTTALDH1A1
SCHEMBL5400102 0.71 DRD1 (0.37) KDM4EDRD1ALDH1A1
Hydrochloric Acid SCHEMBL620679 0.69 NR1I2 (0.32) KDM4EALDH1A1
SCHEMBL19281127 0.68 EPHX2 (0.49) SIGMAR1
SCHEMBL619987 0.67 ATM (0.64) KDM4EATMHTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 EP disclosed
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-01 US disclosed
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-01-27 US disclosed
US-7842703-B2 Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS S.A. (CH) 2010-11-30 US disclosed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 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 (4 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-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV6 TRPM8 21/4885KDM4E 2842/4885ATM 3827/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPM8 24/4885KDM4E 2871/4885ATM 3850/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPM8 24/4885KDM4E 2871/4885ATM 3850/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPM8 21/4885KDM4E 2842/4885ATM 3827/4885

“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.