SCHEMBL6985855

SCHEMBL6985855

O=C(c1nc2ccccc2nc1O)N1CCCC1Cn1cccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.42
FABP4 P15090 1/20 0.39
KCNH2 Q12809 1/20 0.38
HCRTR2 O43614 4/20 0.38
HCRTR1 O43613 2/20 0.38
CYP3A4 P08684 1/20 0.36
ATR Q13535 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
AKR1C3 P42330 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
SCHEMBL6985885 0.84 HRH3 (0.56) HRH3KCNH2ATR
SCHEMBL6989539 0.78 SCD5 (0.55) FABP4HCRTR2HCRTR1CYP3A4
SCHEMBL3703633 0.77 RAB9A (0.48) FABP4
SCHEMBL6986701 0.77 FABP4 (0.41) HRH3FABP4HCRTR2HCRTR1OPRK1
SCHEMBL3703636 0.77 RAB9A (0.48) FABP4
SCHEMBL6985880 0.77 FABP4 (0.41) HRH3FABP4HCRTR2HCRTR1OPRM1
SCHEMBL6988095 0.77 FABP4 (0.41) HRH3FABP4HCRTR2HCRTR1AKR1C3
SCHEMBL6992252 0.77 FABP4 (0.43) FABP4HCRTR2HCRTR1CYP3A4
SCHEMBL18425650 0.76 HRH3 (0.40) HRH3KCNH2HCRTR2
SCHEMBL18425649 0.76 HRH3 (0.40) HRH3KCNH2HCRTR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229624-B2 FABP4 as a therapeutic target in skin diseases TICURE LTD. (IL) 2022-01-25 US disclosed
US-20200138779-A1 FABP4 AS A THERAPEUTIC TARGET IN SKIN DISEASES TICURE LTD. (IL) 2020-05-07 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-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 (3 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-11229624-B2 FABP4 as a therapeutic target in skin diseases FABP4, FABP2, FABP1 HRH3 2878/4885FABP4 1/4885KCNH2 4810/4885
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 HRH3 4807/4885FABP4 1/4885KCNH2 4745/4885
US-20200138779-A1 FABP4 AS A THERAPEUTIC TARGET IN SKIN DISEASES FABP4, FABP2, FABP1 HRH3 2878/4885FABP4 1/4885KCNH2 4810/4885

“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.