SCHEMBL3758650

SCHEMBL3758650

S=C(Nc1cccc2ccncc12)NC1CC2(CCC2)Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.51
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 4/20 0.41
CYP3A4 P08684 4/20 0.41
CDK5 Q00535 2/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
LMNA P02545 3/20 0.39
CDK1 P06493 1/20 0.38
NTRK1 P04629 1/20 0.38
CYP2D6 P10635 1/20 0.37
NSD2 O96028 1/20 0.37

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
SCHEMBL3758877 0.93 TRPV1 (0.60) TRPV1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL620565 0.89 TRPV1 (0.65) TRPV1ALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL620269 0.83 TRPV1 (0.43) TRPV1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL616146 0.81 TRPV1 (0.76) TRPV1CYP3A4CDK5CCNE1CDK2
SCHEMBL15446074 0.81 TRPV1 (0.76) TRPV1CYP3A4CDK5CCNE1CDK2
Hydrochloric Acid SCHEMBL3765639 0.80 TRPV1 (0.75) TRPV1CYP3A4CDK5CCNE1CDK2
SCHEMBL4575416 0.79 TRPV1 (0.79) TRPV1ALDH1A1KDM4ESMN1; SMN2KMT2A
Sulfuric Acid SCHEMBL3765635 0.78 TRPV1 (0.71) TRPV1CYP3A4CDK5CCNE1CDK2
SCHEMBL619619 0.76 TRPV1 (0.51) TRPV1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL620089 0.74 TRPV1 (0.74) TRPV1CYP3A4CDK5CCNE1CDK2

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 claimed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 US claimed
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-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 (2 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 TRPV1 1/4885ALDH1A1 665/4885KDM4E 2842/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPV1 1/4885ALDH1A1 665/4885KDM4E 2842/4885

“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.