SCHEMBL5035849

SCHEMBL5035849

Cc1cc(N2CCCC2)c2ccc(O)cc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.64
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 3/20 0.47
CASP1 P29466 3/20 0.47
CASP7 P55210 3/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 6/20 0.46
MAPT P10636 4/20 0.46
GLA P06280 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.44
RAD52 P43351 1/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL5040538 0.98 NCF1 (0.67) NCF1ADRB2ADRB1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL5040427 0.97 NCF1 (0.65) NCF1ADRB2ADRB1HSD17B10ALDH1A1
SCHEMBL5401526 0.85 NCF1 (0.58) NCF1ADRB2ADRB1HSD17B10KDM4E
SCHEMBL5024576 0.83 NCF1 (0.66) NCF1ADRB2ADRB1HSD17B10ALDH1A1
SCHEMBL5025365 0.82 NCF1 (0.64) NCF1ADRB2ADRB1HSD17B10ALDH1A1
SCHEMBL5024630 0.82 NCF1 (0.68) NCF1ADRB2ADRB1ALDH1A1GAA
SCHEMBL5028638 0.82 NCF1 (0.68) NCF1ADRB2ADRB1ALDH1A1GAA
SCHEMBL5024568 0.82 NCF1 (0.64) NCF1ADRB2ADRB1HSD17B10TSHR
SCHEMBL5514435 0.81 NCF1 (0.59) NCF1ADRB2ADRB1HSD17B10ALDH1A1
SCHEMBL5022719 0.81 NCF1 (0.67) NCF1ADRB2ADRB1HSD17B10TSHR

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 9 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 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
EP-1395564-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-03-10 EP disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002094789-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 WO 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 1052/4885ADRB2 709/4885ADRB1 532/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885ADRB2 709/4885ADRB1 532/4885

“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.