SCHEMBL5037448

SCHEMBL5037448

Cc1cc(N2CCCCCC2)c2ccc(OCc3ccccc3)cc2n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.63
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
NPY5R Q15761 1/20 0.46
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KIT P10721 1/20 0.43

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 SCHEMBL5040456 0.99 NCF1 (0.62) NCF1ADRB2ADRB1NPY5RMAPT
SCHEMBL5033351 0.99 NCF1 (0.61) NCF1ADRB2ADRB1NPY5RMAPT
SCHEMBL5035781 0.90 NCF1 (0.52) NCF1ADRB2ADRB1NPY5RMAPT
SCHEMBL6370517 0.89 NCF1 (0.65) NCF1ADRB2ADRB1MAPTKDM4E
Hydrochloric Acid SCHEMBL5042681 0.89 NCF1 (0.51) NCF1ADRB2ADRB1NPY5RMAPT
SCHEMBL5037686 0.89 NCF1 (0.51) NCF1MAPTUSP2LMNAPKM
SCHEMBL5037370 0.89 NCF1 (0.50) NCF1ADRB2ADRB1MAPT
SCHEMBL5036246 0.89 NCF1 (0.50) NCF1MAPTKDM4E
SCHEMBL5033327 0.88 NCF1 (0.51) NCF1MAPTKDM4EHTT
SCHEMBL5040556 0.88 NCF1 (0.51) NCF1

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 1052/4885ADRB2 709/4885ADRB1 532/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885ADRB2 709/4885ADRB1 532/4885

“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.