SCHEMBL5035979

SCHEMBL5035979

C=CCOc1ccc2c(N3CCCC3)cc(C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.52
METAP1 P53582 1/20 0.46
SETDB1 Q15047 1/20 0.45
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
MAOA P21397 1/20 0.40
CHRM4 P08173 1/20 0.39
FGFR1 P11362 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5033185 0.85 NCF1 (0.57) NCF1ADRB2ADRB1MAPTCHRM4
SCHEMBL5037445 0.82 NCF1 (0.53) NCF1ADRB2ADRB1MAPTCHRM4
SCHEMBL5037355 0.82 NCF1 (0.53) NCF1ADRB2ADRB1MAPTMAPK1
SCHEMBL5036066 0.82 NCF1 (0.53) NCF1ADRB2ADRB1MAPTMAPK1
SCHEMBL5035794 0.81 NCF1 (0.52) NCF1ADRB2ADRB1MAPTMAOA
Hydrochloric Acid SCHEMBL5037491 0.81 NCF1 (0.52) NCF1ADRB2ADRB1MAPTCHRM4
Hydrochloric Acid SCHEMBL5033319 0.81 NCF1 (0.52) NCF1ADRB2ADRB1MAPTMAPK1
SCHEMBL5036263 0.81 NCF1 (0.61) NCF1ADRB2ADRB1MAPTKMT2A
SCHEMBL5033351 0.80 NCF1 (0.61) NCF1ADRB2ADRB1MAPTMAPK1
Hydrochloric Acid SCHEMBL5033349 0.80 NCF1 (0.51) NCF1ADRB2ADRB1MAPTMAOA

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
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 NCF1 1052/4885METAP1 2800/4885SETDB1 4775/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885METAP1 2800/4885SETDB1 4775/4885

“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.