SCHEMBL6987252

SCHEMBL6987252

O=C(c1cc2ccccc2nc1O)N1CCC(c2cccc(Cl)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SPR P35270 3/20 0.48
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
SCD5 Q86SK9 3/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 1/20 0.42
AVPR1A P37288 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6990102 0.89 PROKR1 (0.50) HSD11B1CACNA1BAPBA1SPRTP53
SCHEMBL6989447 0.86 HSD11B1 (0.53) HSD11B1CACNA1BAPBA1SPRTP53
SCHEMBL6987239 0.85 PROKR1 (0.50) HSD11B1CACNA1BAPBA1MAPTNPC1
SCHEMBL6990119 0.81 HSP90AA1 (0.48) SCD5
SCHEMBL4151908 0.77 HSD11B1 (0.55) HSD11B1SPRTP53MAPTSCD5
SCHEMBL6990112 0.74 CYP2C9 (0.54) SPRKMT2A
SCHEMBL6987231 0.73 PROKR1 (0.51) HSD11B1SPRTP53MAPTNPC1
SCHEMBL6987244 0.73 HCRTR1 (0.50) SCD5
SCHEMBL6989435 0.71 PROKR1 (0.52) HSD11B1TP53MAPTNPC1KMT2A
SCHEMBL16735634 0.70 KDM4C (0.54) CACNA1BAPBA1SPRMAPTSCD5

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 HSD11B1 973/4885CACNA1B 3113/4885APBA1 173/4885

“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.