SCHEMBL5037445

SCHEMBL5037445

COCCOc1ccc2c(N3CCCC3)cc(C)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.53
ALDH1A1 P00352 3/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
TSHR P16473 1/20 0.40

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
Hydrochloric Acid SCHEMBL5037491 0.99 NCF1 (0.52) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL5037355 0.88 NCF1 (0.53) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL5033185 0.86 NCF1 (0.57) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL5036263 0.84 NCF1 (0.61) NCF1ALDH1A1MAPTADRB2ADRB1
Hydrochloric Acid SCHEMBL6377887 0.83 NCF1 (0.59) NCF1ALDH1A1MAPTADRB2ADRB1
SCHEMBL5873086 0.83 NCF1 (0.63) NCF1ALDH1A1MAPTADRB2ADRB1
SCHEMBL5036066 0.83 NCF1 (0.53) NCF1ALDH1A1HSD17B10MAPTADRB2
SCHEMBL5036246 0.82 NCF1 (0.50) NCF1ALDH1A1MAPTKMT2AMEN1
SCHEMBL5035768 0.82 NCF1 (0.51) NCF1ALDH1A1KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL5033319 0.82 NCF1 (0.52) NCF1ALDH1A1HSD17B10MAPTADRB2

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 1052/4885ALDH1A1 4803/4885CASP1 1920/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885ALDH1A1 4803/4885CASP1 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.