SCHEMBL5035944

SCHEMBL5035944

Cc1cc(N2CCCCCC2)c2ccc(OCc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
NCF1 P14598 2/20 0.48
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
MAOB P27338 4/20 0.46
MAOA P21397 2/20 0.46
PRKDC P78527 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
SCN7A Q01118 1/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 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
SCHEMBL5037525 1.00 HRH3 (0.48) HRH3NCF1TSHRNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL5042753 0.99 HRH3 (0.47) HRH3NCF1TSHRNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL5037489 0.99 HRH3 (0.47) HRH3NCF1TSHRNPSR1ALDH1A1
SCHEMBL5036075 0.99 MAOB (0.47) HRH3NCF1TSHRNPSR1ALDH1A1
SCHEMBL5518149 0.95 NCF1 (0.49) HRH3NCF1TSHRNPSR1ALDH1A1
SCHEMBL5521397 0.95 NCF1 (0.49) HRH3NCF1TSHRNPSR1ALDH1A1
SCHEMBL5521555 0.94 NCF1 (0.47) HRH3NCF1TSHRNPSR1ALDH1A1
SCHEMBL5036322 0.90 PRKDC (0.55) NCF1TSHRNPSR1ALDH1A1LMNA
SCHEMBL5033335 0.89 MAOB (0.48) NCF1ALDH1A1MAOBMAOAL3MBTL1
Hydrochloric Acid SCHEMBL5035842 0.89 PRKDC (0.55) NCF1TSHRALDH1A1LMNAMAOB

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 7 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 claimed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US claimed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US claimed
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 301/4885NCF1 1052/4885TSHR 203/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R HRH3 301/4885NCF1 1052/4885TSHR 203/4885

“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.