SCHEMBL619619

SCHEMBL619619

S=C(Nc1cccc2cnccc12)N(C1CC2(CCC2)Oc2ccccc21)N(C(=S)Nc1cccc2cnccc12)C1CC2(CCC2)Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.51
ALDH1A1 P00352 10/20 0.42
MAPT P10636 10/20 0.42
KDM4E B2RXH2 8/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
CYP3A4 P08684 4/20 0.42
P2RX7 Q99572 1/20 0.41
NSD2 O96028 1/20 0.40
HTT P42858 4/20 0.40
MEN1 O00255 3/20 0.40
BLM P54132 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL620269 0.93 TRPV1 (0.43) TRPV1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3758877 0.83 TRPV1 (0.60) TRPV1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL15446074 0.80 TRPV1 (0.76) TRPV1CYP3A4CYP2D6
SCHEMBL616146 0.80 TRPV1 (0.76) TRPV1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3765639 0.79 TRPV1 (0.75) TRPV1CYP3A4CYP2D6
Sulfuric Acid SCHEMBL3765635 0.77 TRPV1 (0.71) TRPV1CYP3A4P2RX7CYP2D6
SCHEMBL3758650 0.76 TRPV1 (0.51) TRPV1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL620089 0.73 TRPV1 (0.74) TRPV1CYP3A4CYP2D6
SCHEMBL620565 0.72 TRPV1 (0.65) TRPV1ALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL4575416 0.72 TRPV1 (0.79) TRPV1ALDH1A1MAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPV1 1/4885ALDH1A1 604/4885MAPT 3725/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPV1 1/4885ALDH1A1 604/4885MAPT 3725/4885

“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.