SCHEMBL6985885

SCHEMBL6985885

O=C(c1nc2ccccc2nc1O)N1CCCC1CN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.56
KCNH2 Q12809 2/20 0.52
ATR Q13535 1/20 0.46

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
SCHEMBL6985855 0.84 HRH3 (0.42) HRH3KCNH2ATR
SCHEMBL6985880 0.83 FABP4 (0.41) HRH3
SCHEMBL6989539 0.82 SCD5 (0.55)
SCHEMBL3703633 0.81 RAB9A (0.48)
SCHEMBL6988095 0.81 FABP4 (0.41) HRH3
SCHEMBL6986701 0.81 FABP4 (0.41) HRH3
SCHEMBL6989978 0.81 SCD5 (0.51)
SCHEMBL3703636 0.81 RAB9A (0.48)
SCHEMBL3696853 0.79 HCRTR1 (0.42) ATR
SCHEMBL3701793 0.79 HCRTR1 (0.42) ATR

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 2878/4885KCNH2 4810/4885ATR 4798/4885
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 HRH3 4807/4885KCNH2 4745/4885ATR 4853/4885
US-20200138779-A1 FABP4 AS A THERAPEUTIC TARGET IN SKIN DISEASES FABP4, FABP2, FABP1 HRH3 2878/4885KCNH2 4810/4885ATR 4798/4885

“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.