SCHEMBL5040461

SCHEMBL5040461

Cc1cc(N2CCCC2)c2ccc(OCc3ccc(N4CCCC4)nc3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.47
NMT2 O60551 2/20 0.42
NMT1 P30419 2/20 0.42
METTL3 Q86U44 5/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM4 P08173 1/20 0.38
NTRK1 P04629 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5037488 0.94 NCF1 (0.48) NCF1NMT2NMT1METTL3ALDH1A1
Hydrochloric Acid SCHEMBL5035748 0.93 NCF1 (0.47) NCF1NMT2NMT1METTL3ALDH1A1
SCHEMBL5040670 0.91 NCF1 (0.49) NCF1METTL3ALDH1A1CHRM4ADRB2
Hydrochloric Acid SCHEMBL5036273 0.90 NCF1 (0.48) NCF1METTL3ALDH1A1CHRM4ADRB2
SCHEMBL5036269 0.88 NCF1 (0.46) NCF1METTL3ALDH1A1CHRM4ADRB2
Hydrochloric Acid SCHEMBL5036272 0.88 NCF1 (0.46) NCF1METTL3ALDH1A1CHRM4ADRB2
SCHEMBL5040436 0.87 NCF1 (0.45) NCF1METTL3ALDH1A1CHRM4ADRB2
Hydrochloric Acid SCHEMBL5035731 0.86 NCF1 (0.44) NCF1METTL3ALDH1A1CHRM4ADRB2
SCHEMBL5036246 0.86 NCF1 (0.50) NCF1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL5040490 0.85 NCF1 (0.49) NCF1ALDH1A1KDM4EMAPT

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 1052/4885NMT2 679/4885NMT1 1401/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885NMT2 679/4885NMT1 1401/4885

“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.