SCHEMBL5033331

SCHEMBL5033331

Cc1cc(N2CCCC2)c2ccc(OCc3ccc(Cl)cc3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.49
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
ACHE P22303 1/20 0.43
CHKA P35790 2/20 0.43
PRKDC P78527 1/20 0.41
SRD5A1 P18405 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
NPC1 O15118 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 SCHEMBL5040401 0.99 NCF1 (0.48) NCF1USP2LMNATSHRMAPK1
SCHEMBL5037686 0.99 NCF1 (0.51) NCF1USP2LMNATSHRMAPK1
Hydrochloric Acid SCHEMBL5042716 0.98 NCF1 (0.50) NCF1USP2LMNATSHRMAPK1
SCHEMBL5036246 0.90 NCF1 (0.50) NCF1TSHRNPSR1MAOBHRH3
Hydrochloric Acid SCHEMBL5040490 0.89 NCF1 (0.49) NCF1TSHRNPSR1MAOBHRH3
SCHEMBL5033351 0.89 NCF1 (0.61) NCF1USP2LMNAMAPK1HTT
SCHEMBL5036269 0.88 NCF1 (0.46) NCF1NPC1ALDH1A1RAB9A
SCHEMBL5035939 0.88 MAOB (0.50) NCF1MAOAMAOBACHEPRKDC
SCHEMBL5037448 0.88 NCF1 (0.63) NCF1USP2LMNAMAPK1HTT
SCHEMBL5037370 0.88 NCF1 (0.50) NCF1MAOAPRKDCMAPT

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 9 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
EP-1395564-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-03-10 EP disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002094789-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 WO 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 1052/4885USP2 3489/4885LMNA 3209/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885USP2 3489/4885LMNA 3209/4885

“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.