SCHEMBL5037488

SCHEMBL5037488

Cc1cc(N2CCCC2)c2ccc(OCc3ccc(N4CCOCC4)nc3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.48
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 1/20 0.44
METTL3 Q86U44 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HSD17B10 Q99714 2/20 0.41
WNT3A P56704 1/20 0.41
JAK1 P23458 1/20 0.41
PRKDC P78527 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
MAOB P27338 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41

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 SCHEMBL5035748 0.99 NCF1 (0.47) NCF1ALDH1A1HPGDCYP1A2KDM4E
SCHEMBL5040461 0.94 NCF1 (0.47) NCF1ALDH1A1HPGDCYP1A2KDM4E
SCHEMBL5040670 0.86 NCF1 (0.49) NCF1ALDH1A1METTL3MAPT
Hydrochloric Acid SCHEMBL5036273 0.85 NCF1 (0.48) NCF1ALDH1A1METTL3MAPT
SCHEMBL5036269 0.83 NCF1 (0.46) NCF1ALDH1A1METTL3
SCHEMBL6370517 0.83 NCF1 (0.65) NCF1ALDH1A1HPGDCYP1A2KDM4E
Hydrochloric Acid SCHEMBL5036272 0.82 NCF1 (0.46) NCF1ALDH1A1METTL3
SCHEMBL5040436 0.82 NCF1 (0.45) NCF1ALDH1A1METTL3HSD17B10JAK1
Hydrochloric Acid SCHEMBL5035731 0.81 NCF1 (0.44) NCF1ALDH1A1METTL3HSD17B10JAK1
SCHEMBL5036322 0.81 PRKDC (0.55) NCF1ALDH1A1HPGDKDM4EMETTL3

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 4803/4885HPGD 2346/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885ALDH1A1 4803/4885HPGD 2346/4885

“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.