SCHEMBL5037355

SCHEMBL5037355

Cc1cc(N2CCCC2)c2ccc(OCCO)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.53
PDE4A P27815 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 2/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPY5R Q15761 1/20 0.40
CHRM4 P08173 1/20 0.40
MAOA P21397 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5037445 0.88 NCF1 (0.53) NCF1MAPTADRB2ADRB1ALDH1A1
Hydrochloric Acid SCHEMBL5037491 0.87 NCF1 (0.52) NCF1MAPTADRB2ADRB1ALDH1A1
SCHEMBL5033185 0.86 NCF1 (0.57) NCF1MAPTADRB2ADRB1ALDH1A1
SCHEMBL5036066 0.83 NCF1 (0.53) NCF1MAPTADRB2ADRB1ALDH1A1
SCHEMBL5035768 0.82 NCF1 (0.51) NCF1ALDH1A1KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL5033319 0.82 NCF1 (0.52) NCF1MAPTADRB2ADRB1ALDH1A1
SCHEMBL5035979 0.82 NCF1 (0.52) NCF1MAPTADRB2ADRB1ALDH1A1
SCHEMBL5035794 0.82 NCF1 (0.52) NCF1PDE4APDE4DMAPTADRB2
SCHEMBL5036263 0.82 NCF1 (0.61) NCF1MAPTADRB2ADRB1ALDH1A1
SCHEMBL5035773 0.81 HRH3 (0.50) NCF1ALDH1A1MAPK1

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 1052/4885PDE4A 1421/4885PDE4D 1431/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885PDE4A 1421/4885PDE4D 1431/4885

“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.