SCHEMBL5035773

SCHEMBL5035773

Cc1cc(N2CCCC2)c2ccc(OCCCN3CCOCC3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
MAPK1 P28482 2/20 0.50
KCNH2 Q12809 2/20 0.50
NCF1 P14598 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
HTR2A P28223 1/20 0.50
SCN1A P35498 1/20 0.50
HTR2B P41595 1/20 0.50
SCN2A Q99250 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SCN3A Q9NY46 1/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
FGFR1 P11362 1/20 0.48
SRC P12931 1/20 0.48
DNMT1 P26358 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47

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 SCHEMBL5037424 0.99 MAPK1 (0.51) HRH3MAPK1KCNH2NCF1ALDH1A1
SCHEMBL5035768 0.95 NCF1 (0.51) NCF1ALDH1A1FGFR1SRCMET
SCHEMBL5037445 0.81 NCF1 (0.53) HRH3KCNH2NCF1ALDH1A1
SCHEMBL5037355 0.81 NCF1 (0.53) MAPK1NCF1ALDH1A1
Hydrochloric Acid SCHEMBL5037491 0.80 NCF1 (0.52) HRH3KCNH2NCF1ALDH1A1
SCHEMBL5033185 0.80 NCF1 (0.57) NCF1ALDH1A1CYP1A2
SCHEMBL5037488 0.77 NCF1 (0.48) NCF1ALDH1A1CYP1A2
SCHEMBL5036066 0.77 NCF1 (0.53) MAPK1NCF1ALDH1A1USP2LMNA
SCHEMBL6370517 0.77 NCF1 (0.65) NCF1ALDH1A1CYP1A2LMNA
Hydrochloric Acid SCHEMBL5035748 0.77 NCF1 (0.47) NCF1ALDH1A1CYP1A2

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 HRH3 301/4885MAPK1 2909/4885KCNH2 3289/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R HRH3 301/4885MAPK1 2909/4885KCNH2 3289/4885

“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.