SCHEMBL5518149

SCHEMBL5518149

Cc1cc(N2CCCCC2)c2ccc(COc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.49
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
NOS3 P29474 5/20 0.43
NOS1 P29475 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR1 O14842 1/20 0.41
PRKDC P78527 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
SCHEMBL5521397 1.00 NCF1 (0.49) NCF1TSHRALDH1A1NPSR1LMNA
SCHEMBL5521555 0.99 NCF1 (0.47) NCF1TSHRALDH1A1NPSR1LMNA
SCHEMBL5037525 0.95 HRH3 (0.48) NCF1TSHRALDH1A1NPSR1LMNA
SCHEMBL5035944 0.95 HRH3 (0.48) NCF1TSHRALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL5042753 0.94 HRH3 (0.47) NCF1TSHRALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL5037489 0.94 HRH3 (0.47) NCF1TSHRALDH1A1NPSR1LMNA
SCHEMBL5036075 0.94 MAOB (0.47) NCF1TSHRALDH1A1NPSR1LMNA
SCHEMBL5516759 0.91 HRH4 (0.41) NCF1TSHRALDH1A1NPSR1LMNA
SCHEMBL5516671 0.91 HRH4 (0.44) NCF1TSHRNPSR1HTTNOS3
SCHEMBL5519997 0.90 NCF1 (0.48) NCF1TSHRALDH1A1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064134-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-20 US claimed
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity KLUG MICHAEL G 2006-03-23 US claimed
US-7166589-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
CN-1289087-C Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2006-12-13 CN 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
CN-1607951-A Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2005-04-20 CN 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 1277/4885TSHR 2009/4885ALDH1A1 700/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1911/4885TSHR 117/4885ALDH1A1 3610/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885TSHR 2009/4885ALDH1A1 700/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1865/4885TSHR 91/4885ALDH1A1 4005/4885

“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.