SCHEMBL619441

SCHEMBL619441

NC1CC2(CCC2)Oc2cc(OC3CCCC3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.40
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
TRPV3 Q8NET8 1/20 0.35
PDK2 Q15119 2/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 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
SCHEMBL620648 0.90 HRH3 (0.40) HRH3CYP2D6KCNH2TRPV3PDK2
SCHEMBL619734 0.83 MAPT (0.44) HRH3KCNH2ESR1PGRMAPT
SCHEMBL617965 0.80 SLC6A4 (0.35) MAPT
SCHEMBL4352829 0.79 MAPT (0.44) HRH3KCNH2ESR1PGRMAPT
SCHEMBL4355348 0.77 KDM4E (0.39) HRH3
SCHEMBL3804180 0.76 KDM1A (0.47)
SCHEMBL4814770 0.75 KDM4E (0.41) LMNA
SCHEMBL619207 0.75 TRPV1 (0.37)
SCHEMBL618147 0.75 CA2 (0.34) LMNAESR1GAAMAPTMAPK1
SCHEMBL617794 0.75 HTR2C (0.39) TRPV3

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 HRH3 424/4885CYP2D6 983/4885KCNH2 874/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 HRH3 310/4885CYP2D6 965/4885KCNH2 832/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 HRH3 310/4885CYP2D6 965/4885KCNH2 832/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 HRH3 424/4885CYP2D6 983/4885KCNH2 874/4885

“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.