SCHEMBL4401367

SCHEMBL4401367

O=c1c(-c2ccc(OCC3CC3)cc2)c(/C=C/c2cccc(CO)c2OCC2CC2)nc2sccn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.34
ADORA2B P29275 4/20 0.31
HTR1B P28222 1/20 0.31
OPRK1 P41145 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HPGD P15428 3/20 0.31
ADORA1 P30542 2/20 0.31
NPC1 O15118 2/20 0.31
POLB P06746 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
JAK2 O60674 1/20 0.31
GRM2 Q14416 1/20 0.31
KDM1A O60341 1/20 0.30
PARP15 Q460N3 1/20 0.30

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
SCHEMBL4399948 0.91 GRM2 (0.32) CTSAADORA2BHTR1BOPRK1FFAR4
SCHEMBL637328 0.87 HCRTR1 (0.37) CTSATP53MAPTRXFP1HPGD
SCHEMBL6032767 0.87 HCRTR1 (0.37) CTSATP53MAPTRXFP1HPGD
SCHEMBL4412002 0.85 NFKB1 (0.33) MAPTHPGDNPC1POLB
SCHEMBL636539 0.84 PDE10A (0.35) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4399942 0.84 PDE10A (0.35) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL636257 0.84 HIF1A (0.35) TP53MAPTLMNA
SCHEMBL4402304 0.84 HIF1A (0.35) TP53MAPTLMNA
SCHEMBL16966536 0.83 KCNQ3 (0.34)
SCHEMBL636524 0.82 HCRTR1 (0.38)

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-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 US disclosed
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-03 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-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CTSA 2491/4885ADORA2B 360/4885HTR1B 316/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CTSA 2491/4885ADORA2B 360/4885HTR1B 316/4885

“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.