SCHEMBL5423972

SCHEMBL5423972

CCOC(=O)c1cc(C(C)(C)C#N)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 3/20 0.40

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
SCHEMBL3736476 0.83 GABRP (0.47) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL5430010 0.78 GABRP (0.43) GABRA1GABRB2GABRPGABRDGABRB1
Hydrochloric Acid SCHEMBL5430002 0.77 GABRP (0.42) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL19838127 0.77 GABRP (0.44) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL21929421 0.76 GABRP (0.46) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL261112 0.74 GABRA1 (0.44) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL2148753 0.73 GABRP (0.51) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL15956284 0.73 CA1 (0.54) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL4420297 0.72 GABRP (0.45) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL16453472 0.72 CA12 (0.52) GABRA1GABRB2GABRPGABRDGABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466143-B2 Azepine derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-06-18 US disclosed
US-20070015746-A1 Azepine derivaties as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. (US) 2007-01-18 US disclosed
EP-1648408-A4 AZEPINE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2006-11-29 EP disclosed
EP-1648408-A1 AZEPINE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-04-26 EP disclosed
WO-2005009387-A2 AZEPINE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS INC. (US) 2005-02-03 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 (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-20070015746-A1 Azepine derivaties as pharmaceutical agents HTR5A, TACR2, TACR1 GABRA1 97/4885GABRB2 178/4885GABRP 250/4885

“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.