SCHEMBL5037686

SCHEMBL5037686

Cc1cc(N2CCCCCC2)c2ccc(OCc3ccc(Cl)cc3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.51
CHKA P35790 2/20 0.44
HRH3 Q9Y5N1 5/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
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 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 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 SCHEMBL5042716 0.99 NCF1 (0.50) NCF1CHKAHRH3MAOAMAOB
SCHEMBL5033331 0.99 NCF1 (0.49) NCF1CHKAHRH3MAOAMAOB
Hydrochloric Acid SCHEMBL5040401 0.98 NCF1 (0.48) NCF1CHKAHRH3MAOAMAOB
SCHEMBL5037448 0.89 NCF1 (0.63) NCF1MAPTUSP2LMNAMAPK1
SCHEMBL5036246 0.89 NCF1 (0.50) NCF1HRH3MAOBNPC1ALDH1A1
SCHEMBL5040556 0.89 NCF1 (0.51) NCF1MAOAMAOBACHEPRKDC
Hydrochloric Acid SCHEMBL5040490 0.88 NCF1 (0.49) NCF1HRH3MAOBNPC1ALDH1A1
SCHEMBL5035781 0.88 NCF1 (0.52) NCF1MAOANPC1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5040456 0.88 NCF1 (0.62) NCF1MAPTUSP2LMNAMAPK1
SCHEMBL5033351 0.88 NCF1 (0.61) NCF1HRH3MAPTUSP2LMNA

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 1052/4885CHKA 4626/4885HRH3 301/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885CHKA 4626/4885HRH3 301/4885

“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.