SCHEMBL6989860

SCHEMBL6989860

O=C(c1nc2ccccc2nc1Cl)N1CCCCC1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
FABP4 P15090 2/20 0.44
LMNA P02545 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
KCNH2 Q12809 1/20 0.42
AKR1C3 P42330 1/20 0.42
RIPK1 Q13546 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ADORA2B P29275 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
POLB P06746 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL6992853 0.80 FABP4 (0.43) RAB9AFABP4MAPTSPHK2HCRTR1
SCHEMBL3700719 0.79 FABP4 (0.59) FABP4HCRTR1HCRTR2
SCHEMBL6989187 0.75 FABP4 (0.51) FABP4LMNATP53HCRTR1HCRTR2
SCHEMBL6989978 0.75 SCD5 (0.51) RAB9ANPC1FABP4HCRTR1HCRTR2
SCHEMBL17600741 0.74 SPHK2 (0.59) RAB9ANPC1LMNACHRM2CHRM4
SCHEMBL17600738 0.74 SPHK2 (0.59) RAB9ANPC1LMNACHRM2CHRM4
SCHEMBL3699136 0.74 FABP4 (0.56) FABP4LMNATP53MAPTHCRTR1
SCHEMBL3702050 0.74 FABP4 (0.56) FABP4LMNATP53MAPTHCRTR1
SCHEMBL3699134 0.74 FABP4 (0.56) FABP4LMNATP53MAPTHCRTR1
SCHEMBL6985880 0.72 FABP4 (0.41) RAB9ANPC1FABP4LMNAAKR1C3

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 RAB9A 2943/4885NPC1 321/4885FABP4 1/4885

“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.