SCHEMBL6989130

SCHEMBL6989130

O=C(c1nc2ccccc2nc1O)N1CCCC(Cc2cccc(F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.45
FAAH O00519 1/20 0.43
ADORA2B P29275 2/20 0.43
ADORA2A P29274 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EED O75530 1/20 0.41
EEF2K O00418 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CCR3 P51677 1/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL6986268 0.89 HCRTR1 (0.47) RIPK1KDM4EHCRTR1HCRTR2CCR3
SCHEMBL6989102 0.88 HSD11B1 (0.50) RIPK1FAAHALDH1A1MEN1KMT2A
SCHEMBL6988441 0.88 EED (0.43) FAAHALDH1A1MEN1KMT2AEED
SCHEMBL6989129 0.85 EED (0.60) ALDH1A1EEDCCR3
SCHEMBL6989185 0.85 TACR3 (0.48) RIPK1FAAHALDH1A1MEN1KMT2A
SCHEMBL6988101 0.82 FABP4 (0.50) HCRTR1HCRTR2
SCHEMBL6986058 0.79 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL6989176 0.78 EPHX2 (0.48) ALDH1A1MEN1KMT2AEEDHCRTR1
SCHEMBL13832737 0.78 EED (0.51) RIPK1FAAHKDM4EALDH1A1HPGD
SCHEMBL3707318 0.77 SCD5 (0.47) MEN1KMT2AHCRTR1HCRTR2

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 RIPK1 602/4885FAAH 133/4885ADORA2B 3786/4885

“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.