SCHEMBL6986268

SCHEMBL6986268

O=C(c1nc2ccccc2nc1O)N1CCCC(Cc2ccc(F)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
RIPK1 Q13546 4/20 0.44
CCR3 P51677 2/20 0.42
CYP2D6 P10635 1/20 0.42
HRH1 P35367 1/20 0.42
HSD11B1 P28845 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6989102 0.91 HSD11B1 (0.50) RIPK1HSD11B1
SCHEMBL3707318 0.89 SCD5 (0.47) HCRTR1HCRTR2
SCHEMBL6989130 0.89 RIPK1 (0.45) HCRTR1HCRTR2RIPK1CCR3KDM4E
SCHEMBL6989185 0.88 TACR3 (0.48) RIPK1HSD11B1
SCHEMBL6988441 0.82 EED (0.43) HSD11B1
SCHEMBL6989176 0.81 EPHX2 (0.48) HCRTR1HCRTR2HSD11B1
SCHEMBL6989529 0.81 NAMPT (0.50) HCRTR1HCRTR2
SCHEMBL6989129 0.80 EED (0.60) CCR3
SCHEMBL6989168 0.77 DAGLA (0.48) HCRTR1HCRTR2
SCHEMBL3696474 0.77 CYP2C9 (0.56)

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 HCRTR1 4346/4885HCRTR2 3592/4885PSEN1 1773/4885

“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.