SCHEMBL274801

SCHEMBL274801

CCCC1c2c([nH]c3ccccc23)C(C(=O)O)=CN(C(=O)c2ccc(F)cc2)C1CC

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.49
POLB P06746 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL4303367 0.77 NR1H4 (0.64) NR1H4POLBABCB1ABCG2
SCHEMBL688528 0.73 NR1H4 (0.76) NR1H4ABCB1ABCG2
SCHEMBL29880554 0.72 NR1H4 (0.50) NR1H4POLBABCB1ABCG2
SCHEMBL687916 0.72 NR1H4 (0.50) NR1H4POLBABCB1ABCG2
SCHEMBL273674 0.71 NR1H4 (0.52) NR1H4
SCHEMBL328164 0.70 NR1H4 (0.49) NR1H4POLBABCB1ABCG2
SCHEMBL4299699 0.70 NR1H4 (0.48) NR1H4POLBABCB1ABCG2
SCHEMBL4309430 0.67 NR1H4 (0.76) NR1H4
SCHEMBL4303273 0.67 NR1H4 (0.64) NR1H4ABCG2
SCHEMBL274983 0.67 NR1H4 (0.54) NR1H4POLBABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US claimed
JP-2007513168-A 2007-05-24 JP claimed
EP-1692136-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-08-23 EP claimed
WO-2005056554-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2005-06-23 WO claimed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US claimed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 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 (2 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-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885POLB 4706/4885ABCB1 1261/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR NR1H4 75/4885POLB 4761/4885ABCB1 2900/4885

“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.