SCHEMBL12188570

SCHEMBL12188570

O=C(c1n[nH]c2cc(O)ccc12)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.52
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CNR1 P21554 2/20 0.44
EPHX2 P34913 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
EIF4A3 P38919 1/20 0.42

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
SCHEMBL1810866 0.93 RBP4 (0.59) RBP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1808221 0.86 RBP4 (0.55) RBP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1807938 0.86 EIF4A3 (0.56) RBP4CNR1EPHX2MAPTEIF4A3
SCHEMBL1808575 0.86 RBP4 (0.59) RBP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1808765 0.82 RBP4 (0.56) RBP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1807211 0.78 FPR2 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1808598 0.77 MGLL (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12168202 0.77 CNR1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4159521 0.77 MGLL (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1809816 0.77 MGLL (0.65) EPHX2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B RBP4 4761/4885GRIN2D 480/4885GRIN3B 278/4885

“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.