SCHEMBL617446

SCHEMBL617446

O=C1CC2(CCC2)Oc2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ATM Q13315 4/20 0.51
HTT P42858 1/20 0.51
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
MAOB P27338 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11107269 0.97 KDM4E (0.56) KDM4EATMHTTCNR1CNR2
SCHEMBL620381 0.88 KDM4E (0.64) KDM4EATMHTTCNR1CNR2
SCHEMBL23957170 0.83 HDAC8 (0.46) KDM4EATMHTTSIGMAR1HDAC8
SCHEMBL4351287 0.83 KDM4E (0.69) KDM4EATMHTTCNR1CNR2
SCHEMBL620216 0.81 KDM4E (0.52) KDM4EATMHTTHDAC8HDAC6
SCHEMBL29920628 0.81 KDM4E (0.52) KDM4EATMHTTHDAC8HDAC6
SCHEMBL12479028 0.81 KDM4E (0.52) KDM4EATMHTTSIGMAR1HDAC8
SCHEMBL619664 0.81 KDM4E (0.63) KDM4EATMHTTHDAC8HDAC6
SCHEMBL617406 0.81 KDM4E (0.73) KDM4EATMHTTHDAC8HDAC6
SCHEMBL4781793 0.81 KDM4E (0.52) KDM4EATMHTTSIGMAR1HDAC8

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 8 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
EP-1931681-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Glenmark Pharmaceuticals S.A. (CH) 2008-06-18 EP disclosed
WO-2007042906-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2007-04-19 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 (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 KDM4E 2842/4885ATM 3827/4885HTT 3509/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2871/4885ATM 3850/4885HTT 3060/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2871/4885ATM 3850/4885HTT 3060/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2842/4885ATM 3827/4885HTT 3509/4885

“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.