SCHEMBL5042740

SCHEMBL5042740

Cc1cc(N2CCCC2)c2ccc(Oc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.51
LMNA P02545 2/20 0.47
SCN9A Q15858 6/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
SCN7A Q01118 5/20 0.43
KCNH2 Q12809 3/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TGFBR1 P36897 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39

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
SCHEMBL5516227 0.86 NCF1 (0.59) NCF1LMNAADRB2ADRB1ALDH1A1
SCHEMBL5036075 0.86 MAOB (0.47) NCF1LMNASCN7AKCNH2ALDH1A1
SCHEMBL5037525 0.85 HRH3 (0.48) NCF1LMNASCN7AKCNH2ALDH1A1
SCHEMBL5035944 0.85 HRH3 (0.48) NCF1LMNASCN7AKCNH2ALDH1A1
SCHEMBL5521555 0.84 NCF1 (0.47) NCF1LMNAADRB2ADRB1ALDH1A1
Hydrochloric Acid SCHEMBL5037489 0.84 HRH3 (0.47) NCF1LMNASCN7AKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL5042753 0.84 HRH3 (0.47) NCF1LMNASCN7AKCNH2ALDH1A1
SCHEMBL5521397 0.84 NCF1 (0.49) NCF1LMNAALDH1A1POLBTSHR
SCHEMBL5518149 0.84 NCF1 (0.49) NCF1LMNAALDH1A1POLBTSHR
SCHEMBL5026895 0.81 NCF1 (0.51) NCF1LMNAADRB2ADRB1ALDH1A1

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 1052/4885LMNA 3209/4885SCN9A 2102/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885LMNA 3209/4885SCN9A 2102/4885

“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.