SCHEMBL6989534

SCHEMBL6989534

CCC(c1ccccc1)C1CCCN1C(=O)c1nc2ccccc2nc1O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.44
KCNK3 O14649 9/20 0.40
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35

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
SCHEMBL3700380 0.85 FABP4 (0.48) FABP4KCNK3CYP2D6
SCHEMBL3700384 0.85 FABP4 (0.48) FABP4KCNK3CYP2D6
SCHEMBL28299649 0.80 CYP3A4 (0.44) KCNK3CYP3A4CYP1A2CYP2D6
SCHEMBL6988085 0.76 HPGD (0.50) CYP3A4CYP1A2
SCHEMBL6993619 0.76 FABP4 (0.73) FABP4
SCHEMBL3700856 0.76 FABP4 (0.73) FABP4
SCHEMBL16250131 0.76 FABP4 (0.73) FABP4
SCHEMBL3700859 0.76 FABP4 (0.73) FABP4
SCHEMBL3700853 0.76 FABP4 (0.73) FABP4
SCHEMBL3695108 0.75 OPRM1 (0.54)

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-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

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 1/4885KCNK3 4400/4885CYP3A4 2192/4885

“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.