SCHEMBL6985880

SCHEMBL6985880

O=C(c1nc2ccccc2nc1O)N1CCCC1CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.41
AKR1C3 P42330 1/20 0.39
TACR1 P25103 1/20 0.39
OGFRL1 Q5TC84 3/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
TP53 P04637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
RIPK1 Q13546 1/20 0.37
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
SCD5 Q86SK9 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL6991350 0.86 FABP4 (0.42) FABP4AKR1C3OPRD1OPRK1HRH3
SCHEMBL6985885 0.83 HRH3 (0.56) HRH3
SCHEMBL6989539 0.82 SCD5 (0.55) FABP4HCRTR1HCRTR2SCD5
SCHEMBL3703633 0.81 RAB9A (0.48) FABP4POLBMEN1NPC1RAB9A
SCHEMBL6988095 0.81 FABP4 (0.41) FABP4AKR1C3TP53HRH3HCRTR1
SCHEMBL3703636 0.81 RAB9A (0.48) FABP4POLBMEN1NPC1RAB9A
SCHEMBL6986701 0.81 FABP4 (0.41) FABP4AKR1C3OGFRL1OPRK1TP53
SCHEMBL6989978 0.81 SCD5 (0.51) FABP4HCRTR1HCRTR2SCD5MEN1
SCHEMBL3701793 0.79 HCRTR1 (0.42) FABP4HCRTR1HCRTR2SCD5MEN1
SCHEMBL3696853 0.79 HCRTR1 (0.42) FABP4HCRTR1HCRTR2SCD5MEN1

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 1/4885AKR1C3 2491/4885TACR1 4243/4885

“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.