SCHEMBL5524360

SCHEMBL5524360

CCO[C@H]1CCN(c2cc(C)nc3cc(CNc4ccc(C#N)cc4)c(C)cc23)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM4 P08173 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34
IDH1 O75874 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
FASN P49327 2/20 0.33
KIT P10721 1/20 0.33
CETP P11597 1/20 0.33
CFB P00751 1/20 0.33
TGFBR1 P36897 1/20 0.33
PIN1 Q13526 2/20 0.33

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
SCHEMBL5524364 1.00 MEN1 (0.35) MEN1ALDH1A1KMT2ACHRM4PDE3B
SCHEMBL5524510 0.88 PDE10A (0.39) CHRM4PDE3BPDE3APDE10AIDH1
SCHEMBL5524518 0.88 PDE10A (0.39) CHRM4PDE3BPDE3APDE10AIDH1
SCHEMBL5524062 0.87 PDE5A (0.38) MEN1ALDH1A1KMT2APDE3BPDE3A
SCHEMBL5524058 0.87 PDE5A (0.38) MEN1ALDH1A1KMT2APDE3BPDE3A
SCHEMBL5527245 0.86 CHRM4 (0.40) MEN1ALDH1A1KMT2ACHRM4PDE3B
SCHEMBL5527247 0.86 CHRM4 (0.40) MEN1ALDH1A1KMT2ACHRM4PDE3B
SCHEMBL5025402 0.84 TERT (0.36) MEN1ALDH1A1KMT2ACHRM4PDE3B
SCHEMBL5025406 0.84 TERT (0.36) MEN1ALDH1A1KMT2ACHRM4PDE3B
SCHEMBL5521290 0.83 NCF1 (0.43) ALDH1A1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US claimed
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 claimed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US claimed
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
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 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 (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 MEN1 621/4885ALDH1A1 700/4885KMT2A 1658/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R MEN1 532/4885ALDH1A1 3610/4885KMT2A 2167/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN MEN1 621/4885ALDH1A1 700/4885KMT2A 1658/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R MEN1 953/4885ALDH1A1 4005/4885KMT2A 992/4885

“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.