SCHEMBL328164

SCHEMBL328164

CCNC(=O)C1Cc2c([nH]c3ccccc23)C(C(=O)O)=CN1C(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.49
TRPM8 Q7Z2W7 1/20 0.41
POLB P06746 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL274943 0.90 NR1H4 (0.63) NR1H4TRPM8POLB
SCHEMBL4299699 0.86 NR1H4 (0.48) NR1H4POLBABCB1ABCG2CDK4
SCHEMBL687916 0.83 NR1H4 (0.50) NR1H4POLBABCB1ABCG2CDK4
SCHEMBL29880554 0.83 NR1H4 (0.50) NR1H4POLBABCB1ABCG2CDK4
SCHEMBL273514 0.80 NR1H4 (0.67) NR1H4
SCHEMBL275134 0.80 NR1H4 (0.67) NR1H4
SCHEMBL274449 0.80 NR1H4 (0.67) NR1H4
SCHEMBL4300714 0.79 CYP19A1 (0.45) ABCB1ABCG2
SCHEMBL4311157 0.76 NR1H4 (0.49) NR1H4ABCB1ABCG2
SCHEMBL4302795 0.75 ABCG2 (0.43) NR1H4ABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 268/4885TRPM8 376/4885POLB 4706/4885

“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.