SCHEMBL5040484

SCHEMBL5040484

Cc1cc(N2CCCC2)c2ccc(OCc3ccccc3Cl)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.53
SRD5A1 P18405 1/20 0.43
PRKDC P78527 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCHR1 Q99705 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADAM17 P78536 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 SCHEMBL5037584 0.99 NCF1 (0.52) NCF1SRD5A1PRKDCADRB2ADRB1
SCHEMBL5035764 0.88 NCF1 (0.48) NCF1ADRB2ADRB1SMN1; SMN2USP2
Hydrochloric Acid SCHEMBL5033328 0.87 NCF1 (0.47) NCF1ADRB2ADRB1SMN1; SMN2USP2
SCHEMBL5037560 0.86 NCF1 (0.52) NCF1ADRB2ADRB1SMN1; SMN2USP2
Hydrochloric Acid SCHEMBL5037460 0.85 NCF1 (0.51) NCF1ADRB2ADRB1SMN1; SMN2USP2
SCHEMBL5040601 0.85 NCF1 (0.47) NCF1ADRB2ADRB1SMN1; SMN2USP2
SCHEMBL5035817 0.85 NCF1 (0.50) NCF1ADRB2ADRB1SMN1; SMN2USP2
SCHEMBL5037487 0.85 NCF1 (0.50) NCF1ADRB2ADRB1SMN1; SMN2NPSR1
SCHEMBL5037441 0.85 NCF1 (0.50) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL5033351 0.84 NCF1 (0.61) NCF1ADRB2ADRB1USP2LMNA

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 6 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
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 1052/4885SRD5A1 3862/4885PRKDC 4750/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885SRD5A1 3862/4885PRKDC 4750/4885

“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.