SCHEMBL14826751

SCHEMBL14826751

Cc1cc2c(cc1C(=O)N1CCc3ccccc3C1c1cccnc1)[nH]c(=O)c1nnc(-c3sccc3C)n12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 1/20 0.36
TRPM8 Q7Z2W7 3/20 0.34
NPC1 O15118 1/20 0.34
SPR P35270 6/20 0.33
HHAT Q5VTY9 3/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL12044372 0.92 TRPM8 (0.36) LHCGRTRPM8NPC1SPRHHAT
SCHEMBL12044376 0.84 HCRTR1 (0.33) SPR
SCHEMBL7907305 0.83 MAPK1 (0.37) TRPM8NPC1SPRCYP2C19
SCHEMBL7908858 0.81 SPR (0.44) NPC1SPRCYP2C19
SCHEMBL7910744 0.78 ALDH1A1 (0.37) NPC1SPRCYP2C19
SCHEMBL1723486 0.77 TRPM8 (0.35) TRPM8SPR
SCHEMBL10186505 0.76 BCL2 (0.39)
SCHEMBL12045103 0.76 TRPM8 (0.36) TRPM8SPR
SCHEMBL7905582 0.76 P2RX7 (0.43) NPC1SPR
SCHEMBL7907134 0.76 MYC (0.40) NPC1SPR

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-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 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 (1 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A LHCGR 3723/4885TRPM8 1572/4885NPC1 3186/4885

“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.