SCHEMBL620269

SCHEMBL620269

S=C(Nc1cccc2ccncc12)N(C1CC2(CCC2)Oc2ccccc21)N(C(=S)Nc1cccc2ccncc12)C1CC2(CCC2)Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.43
CDK5 Q00535 2/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
BDKRB2 P30411 1/20 0.35
CDK1 P06493 1/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
P2RX7 Q99572 1/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.33
NSD2 O96028 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 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
SCHEMBL619619 0.93 TRPV1 (0.51) TRPV1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL3758650 0.83 TRPV1 (0.51) TRPV1CDK5CCNE1CDK2CDK1
SCHEMBL620565 0.80 TRPV1 (0.65) TRPV1CDK5CCNE1CDK2CDK1
SCHEMBL3758877 0.76 TRPV1 (0.60) TRPV1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL616146 0.72 TRPV1 (0.76) TRPV1CDK5CCNE1CDK2CYP3A4
SCHEMBL15446074 0.72 TRPV1 (0.76) TRPV1CDK5CCNE1CDK2CYP3A4
Hydrochloric Acid SCHEMBL3765639 0.72 TRPV1 (0.75) TRPV1CDK5CCNE1CDK2CYP3A4
Sulfuric Acid SCHEMBL3765635 0.70 TRPV1 (0.71) TRPV1CDK5CCNE1CDK2CYP3A4
SCHEMBL3764676 0.67 ALDH1A1 (0.42) CDK5CCNE1CDK2ALDH1A1KDM4E
SCHEMBL620048 0.67 TRPV1 (0.45) TRPV1

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 2 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

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 1/4885CDK5 2432/4885CCNE1 4738/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TRPV1 1/4885CDK5 2432/4885CCNE1 4738/4885

“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.