SCHEMBL617985

SCHEMBL617985

NC1CC2(CCC2)Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.47
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 3/20 0.37
KCNH2 Q12809 3/20 0.37
TRPV1 Q8NER1 7/20 0.36
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
NTRK1 P04629 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
SCHEMBL15021498 1.00 OPRD1 (0.47) OPRD1KMT2ACYP2D6KCNH2TRPV1
Hydrochloric Acid SCHEMBL619743 0.98 OPRD1 (0.46) OPRD1KMT2ACYP2D6KCNH2TRPV1
SCHEMBL15086541 0.97 OPRD1 (0.47) OPRD1KMT2ACYP2D6KCNH2TRPV1
SCHEMBL11253408 0.97 OPRD1 (0.47) OPRD1KMT2ACYP2D6KCNH2TRPV1
SCHEMBL4355350 0.95 OPRD1 (0.46) OPRD1KMT2ACYP2D6KCNH2TRPV1
SCHEMBL617209 0.87 OPRD1 (0.44) OPRD1KMT2ACYP2D6KCNH2TRPV1
Trifluoroacetic Acid SCHEMBL619745 0.86 OPRD1 (0.40) OPRD1KMT2ACYP2D6KCNH2TRPV1
SCHEMBL4343470 0.83 KMT2A (0.62) OPRD1KMT2ACYP2D6KCNH2TRPV1
SCHEMBL12648815 0.79 OPRD1 (0.47) OPRD1KMT2ACYP2D6KCNH2TRPV1
SCHEMBL15717425 0.79 OPRD1 (0.47) OPRD1KMT2ACYP2D6KCNH2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487121-B2 Chromane derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-07-16 US disclosed
US-8487121-B2 Chromane derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-07-16 US disclosed
US-8487121-B2 Chromane derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-07-16 US disclosed
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-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-12-09 US disclosed
US-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-12-09 US disclosed
US-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-12-09 US disclosed
EP-2254879-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-12-01 EP disclosed
US-7842703-B2 Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS S.A. (CH) 2010-11-30 US disclosed
WO-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 WO disclosed
WO-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 WO disclosed
WO-2009081219-A1 QUINAZOLINE DERIVATIVES AS VANILLOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-02 WO disclosed
WO-2009081219-A1 QUINAZOLINE DERIVATIVES AS VANILLOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-02 WO disclosed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 US disclosed
WO-2008110863-A1 INDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2008-09-18 WO 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 (5 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-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS TRPV3, TRPV2, TRPV1 OPRD1 310/4885KMT2A 3898/4885CYP2D6 2131/4885
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV6 OPRD1 166/4885KMT2A 3797/4885CYP2D6 983/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 OPRD1 163/4885KMT2A 3802/4885CYP2D6 965/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 OPRD1 163/4885KMT2A 3802/4885CYP2D6 965/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 OPRD1 166/4885KMT2A 3797/4885CYP2D6 983/4885

“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.