SCHEMBL6732455

SCHEMBL6732455

c1ccc(Oc2ccc(CCNCc3cccnc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.62
EPHX2 P34913 1/20 0.62
NAMPT P43490 1/20 0.58
MAPK1 P28482 2/20 0.58
OPRM1 P35372 6/20 0.55
OPRD1 P41143 5/20 0.55
OPRK1 P41145 5/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CHRM2 P08172 1/20 0.54
BCHE P06276 1/20 0.54
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL7235869 0.88 CYP1A2 (0.69) LTA4HMAPK1ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL30115033 0.87 CYP1A2 (0.67) LTA4HMAPK1ALDH1A1MAPTHTT
SCHEMBL5947356 0.86 MAPK1 (0.60) LTA4HEPHX2NAMPTMAPK1ALDH1A1
SCHEMBL8499156 0.85 LTA4H (0.82) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL9081140 0.85 LTA4H (0.82) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL9154589 0.83 LTA4H (0.79) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL580095 0.82 NAMPT (0.60) NAMPTMAPK1OPRM1OPRD1OPRK1
SCHEMBL16606308 0.82 CYP1A2 (0.74) LTA4HALDH1A1MAPTHTTCYP1A2
SCHEMBL5947260 0.80 BCHE (0.68) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL10561741 0.80 CYP1A2 (0.61) ALDH1A1MAPTHTTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800651-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-10-05 US disclosed
US-20040006114-A1 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP disclosed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO 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-20040006114-A1 Potentiators of glutamate receptors GRM1, GRIN1, GRM2 LTA4H 1721/4885EPHX2 2200/4885NAMPT 3202/4885

“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.