SCHEMBL619246

SCHEMBL619246

O/N=C1/CC2(CCC2)Oc2cc(OC3CCCC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.38
HRH3 Q9Y5N1 15/20 0.38
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAOB P27338 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
SCHEMBL619247 1.00 PDK2 (0.38) PDK2HRH3CYP2D6KCNH2MAOB
SCHEMBL620079 0.91 HRH3 (0.42) PDK2HRH3CYP2D6KCNH2
SCHEMBL620080 0.91 HRH3 (0.42) PDK2HRH3CYP2D6KCNH2
SCHEMBL619822 0.83 KDM4E (0.43)
SCHEMBL619821 0.83 KDM4E (0.43)
SCHEMBL619691 0.81 KDM4E (0.45)
SCHEMBL620167 0.80 ALDH1A1 (0.36)
SCHEMBL620168 0.80 ALDH1A1 (0.36)
SCHEMBL618064 0.76 MAOB (0.52) PDK2MAOB
SCHEMBL618063 0.76 MAOB (0.52) PDK2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 PDK2 898/4885HRH3 424/4885CYP2D6 983/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 PDK2 918/4885HRH3 310/4885CYP2D6 965/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 PDK2 898/4885HRH3 424/4885CYP2D6 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.