SCHEMBL5037487

SCHEMBL5037487

Cc1cc(N2CCCC2)c2ccc(OCc3ccccc3C#N)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.50
MAOB P27338 1/20 0.48
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
ALOX5AP P20292 1/20 0.40
MET P08581 1/20 0.40
MAPT P10636 1/20 0.39
ADAM17 P78536 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL5036278 0.99 NCF1 (0.52) NCF1MAOBKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5040498 0.98 NCF1 (0.51) NCF1MAOBKDM4EALDH1A1HPGD
SCHEMBL5040484 0.85 NCF1 (0.53) NCF1ADRB2ADRB1MAPTADAM17
SCHEMBL5488228 0.84 MAOB (0.48) MAOBKDM4EALDH1A1HPGDGPR84
SCHEMBL5037440 0.84 MAOB (0.41) MAOBKDM4EALDH1A1HPGDGPR84
SCHEMBL5037443 0.84 MAOB (0.41) MAOBKDM4EALDH1A1HPGDGPR84
SCHEMBL5037560 0.84 NCF1 (0.52) NCF1KDM4EADRB2ADRB1MAPT
Hydrochloric Acid SCHEMBL5037584 0.84 NCF1 (0.52) NCF1ADRB2ADRB1MAPTADAM17
SCHEMBL5040453 0.83 NCF1 (0.45) NCF1KDM4EALDH1A1HPGDADRB2
Hydrochloric Acid SCHEMBL5035808 0.83 MAOB (0.41) MAOBKDM4EALDH1A1HPGDGPR84

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 7 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
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 1052/4885MAOB 1279/4885KDM4E 1210/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885MAOB 1279/4885KDM4E 1210/4885

“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.