SCHEMBL5036289

SCHEMBL5036289

CCCCc1cc2c(N3CCCC3)ccnc2cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EHMT2 Q96KQ7 4/20 0.47
EHMT1 Q9H9B1 4/20 0.47
CHKA P35790 1/20 0.46
NCF1 P14598 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IDE P14735 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE3A Q14432 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DPP4 P27487 1/20 0.39
MEN1 O00255 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
SCHEMBL6377309 0.83 EHMT2 (0.61) PKMALOX15CASP1HSD17B10EHMT2
SCHEMBL5035797 0.83 EHMT2 (0.53) PKMALOX15CASP1HSD17B10EHMT2
Hydrochloric Acid SCHEMBL5037470 0.82 EHMT2 (0.60) PKMALOX15CASP1HSD17B10EHMT2
Hydrochloric Acid SCHEMBL5035774 0.82 EHMT2 (0.52) PKMALOX15CASP1HSD17B10EHMT2
SCHEMBL5042812 0.79 EHMT2 (0.48) PKMALOX15CASP1HSD17B10EHMT2
SCHEMBL5035782 0.79 EHMT2 (0.48) PKMALOX15CASP1HSD17B10EHMT2
Hydrochloric Acid SCHEMBL5033237 0.78 EHMT2 (0.48) PKMALOX15CASP1HSD17B10EHMT2
SCHEMBL5033329 0.74 EHMT2 (0.44) PKMALOX15CASP1HSD17B10EHMT2
SCHEMBL27603986 0.72 TYR (0.40) ALOX15CASP1HSD17B10ALDH1A1CYP3A4
SCHEMBL22455168 0.72 CHKA (0.45) PKMALOX15CASP1HSD17B10EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US claimed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US claimed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US claimed
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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 (2 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R PKM 4348/4885ALOX15 2676/4885CASP1 1920/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R PKM 4348/4885ALOX15 2676/4885CASP1 1920/4885

“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.