SCHEMBL5756636

SCHEMBL5756636

COc1cc2c(cc1C)C(C)(C)C(=O)N2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ELANE P08246 1/20 0.52
SCN9A Q15858 3/20 0.44
HSD11B1 P28845 1/20 0.43
EP300 Q09472 1/20 0.43
P2RX7 Q99572 2/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
BRD4 O60885 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PIM1 P11309 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
SCHEMBL5789567 0.86 ELANE (0.48) TDP1ELANEEP300ADAMTS5MAPT
SCHEMBL5789248 0.83 ELANE (0.45) TDP1ELANEEP300ADAMTS5MAPT
SCHEMBL5757968 0.82 ELANE (0.55) TDP1ELANEEP300MAPTALDH1A1
SCHEMBL16315749 0.78 ELANE (0.59) TDP1ELANEADAMTS5MAPTALDH1A1
SCHEMBL5179538 0.78 ELANE (0.59) TDP1ELANEMAPTALDH1A1
SCHEMBL30881990 0.75 ELANE (0.69) TDP1ELANESCN9AP2RX7MAPT
SCHEMBL3147117 0.75 ELANE (0.69) TDP1ELANESCN9AP2RX7MAPT
SCHEMBL13233765 0.74 ELANE (0.58) TDP1ELANEMAPTALDH1A1
SCHEMBL31411532 0.74 ELANE (0.58) TDP1ELANEMAPTALDH1A1
SCHEMBL10696091 0.73 TDP1 (0.54) TDP1ELANESCN9AEP300ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases PFAHL MAGNUS 2006-10-26 US disclosed
US-7102000-B2 Heterocyclic amide derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2006-09-05 US disclosed
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases PFAHL MAGNUS 2006-07-20 US disclosed
US-7071218-B2 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases INCYTE SAN DIEGO INCORPORATED (US) 2006-07-04 US disclosed
EP-1487443-A4 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-12 EP disclosed
EP-1456187-A4 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2005-02-09 EP disclosed
EP-1487443-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-12-22 EP disclosed
EP-1456187-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-09-15 EP disclosed
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2003-11-20 US disclosed
WO-2003075924-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 WO disclosed
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2003-07-31 US disclosed
WO-2003043998-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-05-30 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-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP TDP1 3077/4885ELANE 2394/4885SCN9A 2216/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP TDP1 3347/4885ELANE 2457/4885SCN9A 2366/4885
US-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases HDAC5, KAT5, IGFBP5 TDP1 4305/4885ELANE 4190/4885SCN9A 2067/4885
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases GCKR, HDAC5, GPR119 TDP1 4267/4885ELANE 3992/4885SCN9A 2999/4885

“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.