SCHEMBL3700380

SCHEMBL3700380

O=C(c1nc2ccccc2nc1O)N1CCC[C@H]1C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.48
DUT P33316 1/20 0.42
RIPK1 Q13546 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
ADORA2B P29275 2/20 0.35
ADORA2A P29274 1/20 0.35
KCNK3 O14649 3/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL3700384 1.00 FABP4 (0.48) FABP4DUTRIPK1OPRM1OPRD1
SCHEMBL6989534 0.85 FABP4 (0.44) FABP4KCNK3CYP2D6
SCHEMBL6993619 0.80 FABP4 (0.73) FABP4
SCHEMBL16250131 0.80 FABP4 (0.73) FABP4
SCHEMBL3700853 0.80 FABP4 (0.73) FABP4
SCHEMBL3700859 0.80 FABP4 (0.73) FABP4
SCHEMBL3700856 0.80 FABP4 (0.73) FABP4
SCHEMBL3695108 0.80 OPRM1 (0.54) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL6988085 0.78 HPGD (0.50) ALDH1A1SMN1; SMN2ADORA2BADORA2A
SCHEMBL6988095 0.77 FABP4 (0.41) FABP4ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 FABP4 1/4885DUT 3616/4885RIPK1 602/4885

“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.