SCHEMBL5792577

SCHEMBL5792577

Cc1cc2c(cc1-c1cc(C=O)ccc1N(C)C)n(C)c(=O)c(=O)n2C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.35
▸ PKM P14618 4/20 0.35
▸ CYP2A6 P11509 4/20 0.33
▸ CYP2A13 Q16696 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALDH1A3 P47895 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TAS2R14 Q9NYV8 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL6542316 0.85 POLB (0.33) POLBPKMKDM4CTP53THRB
SCHEMBL6542313 0.85 POLB (0.33) POLBPKMKDM4CTP53THRB
SCHEMBL5789836 0.80 GSK3B (0.48) —
SCHEMBL5865514 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL5865515 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL5789834 0.80 GSK3B (0.48) —
SCHEMBL5865777 0.74 ALDH1A1 (0.59) ALDH1A1LMNA
SCHEMBL6449379 0.72 RXRA (0.34) CYP2A6CYP2A13ALDH1A3ALDH1A1
SCHEMBL5758266 0.72 RXRA (0.52) ALDH1A3ALDH1A1
SCHEMBL18720407 0.71 CYP2A6 (0.50) POLBCYP2A6ALDH1A1LMNA

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 16 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-1421061-A4 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INC (US) 2004-12-22 — — 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
EP-1421061-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA Incyte San Diego Incorporated (US) 2004-05-26 — — 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
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia ORTHO MCNEIL PHARMACEUTICAL INC. 2003-05-01 — — US disclosed
WO-2003016267-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INCORPORATED (US) 2003-02-27 — — 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 (5 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 POLB 2560/4885PKM 826/4885CYP2A6 979/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP POLB 2464/4885PKM 768/4885CYP2A6 1009/4885
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia OAT, CPT1A, CYP27A1 POLB 1445/4885PKM 450/4885CYP2A6 398/4885
US-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases HDAC5, KAT5, IGFBP5 POLB 4704/4885PKM 1014/4885CYP2A6 1189/4885
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases GCKR, HDAC5, GPR119 POLB 4583/4885PKM 631/4885CYP2A6 1602/4885

“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.

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