SCHEMBL5040601

SCHEMBL5040601

Cc1ccc(COc2ccc3c(N4CCCC4)cc(C)nc3c2)c(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.47
CHRM4 P08173 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
ADAM17 P78536 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHKA P35790 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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 SCHEMBL5033388 0.99 NCF1 (0.46) NCF1CHRM4ADRB2ADRB1KMT2A
SCHEMBL5035807 0.88 NCF1 (0.42) NCF1CHRM4ADRB2ADRB1KMT2A
SCHEMBL5035764 0.88 NCF1 (0.48) NCF1CHRM4ADRB2ADRB1KMT2A
Hydrochloric Acid SCHEMBL5033328 0.87 NCF1 (0.47) NCF1CHRM4ADRB2ADRB1KMT2A
SCHEMBL5040484 0.85 NCF1 (0.53) NCF1ADRB2ADRB1KMT2AMEN1
Hydrochloric Acid SCHEMBL5037584 0.84 NCF1 (0.52) NCF1ADRB2ADRB1KMT2AMEN1
SCHEMBL5033331 0.83 NCF1 (0.49) NCF1ALDH1A1MAPTPKMALOX15
Hydrochloric Acid SCHEMBL5040401 0.82 NCF1 (0.48) NCF1ALDH1A1MAPTPKMALOX15
SCHEMBL5037686 0.82 NCF1 (0.51) NCF1ALDH1A1MAPTPKMALOX15
SCHEMBL5035817 0.81 NCF1 (0.50) NCF1CHRM4ADRB2ADRB1KMT2A

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 1052/4885CHRM4 2051/4885ADRB2 709/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885CHRM4 2051/4885ADRB2 709/4885

“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.