SCHEMBL5514944

SCHEMBL5514944

Cc1cc(N2CCCC2)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 4/20 0.42
MAOB P27338 5/20 0.41
SRD5A1 P18405 1/20 0.41
MAOA P21397 1/20 0.40

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
SCHEMBL5042820 0.94 NCF1 (0.46) NCF1HRH3KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL5040609 0.93 NCF1 (0.46) NCF1HRH3KCNH2MEN1KMT2A
SCHEMBL5514802 0.89 NCF1 (0.46) NCF1MEN1KMT2AMAOB
SCHEMBL5514274 0.88 NCF1 (0.49) NCF1HRH3KCNH2MEN1KMT2A
SCHEMBL5518704 0.88 NCF1 (0.48) NCF1HRH3MEN1KMT2AMAOB
SCHEMBL5518639 0.88 NCF1 (0.51) NCF1HRH3KCNH2MEN1KMT2A
SCHEMBL5524115 0.87 NCF1 (0.50) NCF1HRH3
SCHEMBL5521248 0.87 NCF1 (0.50) NCF1HRH3KCNH2MEN1KMT2A
SCHEMBL5042771 0.87 MAOB (0.48) NCF1MEN1KMT2AMAOB
Hydrochloric Acid SCHEMBL5033344 0.86 MAOB (0.48) NCF1MEN1KMT2AMAOB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166589-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity KLUG MICHAEL G 2006-07-06 US disclosed
US-7064134-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-20 US disclosed
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity KLUG MICHAEL G 2006-03-23 US disclosed
US-7012073-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US disclosed
US-6787558-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS, FOR TREATING ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS AND OBESITY HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
EP-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 EP disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 WO 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 (4 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-20030158179-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885HRH3 1061/4885KCNH2 1302/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1911/4885HRH3 1682/4885KCNH2 2168/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885HRH3 1061/4885KCNH2 1302/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1865/4885HRH3 1906/4885KCNH2 2245/4885

“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.