SCHEMBL5037477

SCHEMBL5037477

Cc1cc(N2CCCC2)c2ccc(OCC3CCN(C)CC3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
NCF1 P14598 2/20 0.48
KDR P35968 6/20 0.43
KIT P10721 2/20 0.42
CHRM4 P08173 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
KMT2A Q03164 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CXCR1 P25024 1/20 0.40
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 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 SCHEMBL5040546 0.99 MAOA (0.50) MAOAMAOBNCF1KDRKIT
SCHEMBL5035794 0.93 NCF1 (0.52) MAOAMAOBNCF1CHRM4KMT2A
Hydrochloric Acid SCHEMBL5033349 0.92 NCF1 (0.51) MAOAMAOBNCF1CHRM4DNMT1
SCHEMBL6370775 0.83 CHRM4 (0.53) MAOAMAOBNCF1CHRM4KMT2A
SCHEMBL5033185 0.81 NCF1 (0.57) NCF1CHRM4KMT2AMEN1ALDH1A1
SCHEMBL5040399 0.81 NCF1 (0.46) NCF1KMT2AMEN1ALDH1A1
SCHEMBL5036066 0.78 NCF1 (0.53) MAOANCF1CHRM4KMT2AMEN1
SCHEMBL5037445 0.78 NCF1 (0.53) NCF1CHRM4KMT2AMEN1ALDH1A1
SCHEMBL5037355 0.78 NCF1 (0.53) MAOANCF1CHRM4KMT2APDE4A
SCHEMBL5035979 0.77 NCF1 (0.52) MAOANCF1CHRM4KMT2AMEN1

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 MAOA 1633/4885MAOB 1279/4885NCF1 1052/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOA 1633/4885MAOB 1279/4885NCF1 1052/4885

“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.