SCHEMBL5386339

SCHEMBL5386339

CC1CC(C)CN(C(N)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.39
CHRNB2 P17787 5/20 0.38
CHRNA3 P32297 5/20 0.38
CHRNA4 P43681 5/20 0.38
CHRNB3 Q05901 5/20 0.38
CHRNA6 Q15825 5/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL13634298 0.90
SCHEMBL26151483 0.82 EPHX1 (0.36) GAAKMT2APLA2G1BATG4BALDH1A1
SCHEMBL31323872 0.81 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15154826 0.79 GAA (0.48) GAAKMT2APLA2G1BATG4BALDH1A1
SCHEMBL11082124 0.79 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14173617 0.77 CHRNB2 (0.56) GAAKMT2APLA2G1BATG4BALDH1A1
SCHEMBL21541884 0.77 GAA (0.47) GAAKMT2APLA2G1BATG4BALDH1A1
SCHEMBL10406212 0.77 GAA (0.47) GAAKMT2APLA2G1BATG4BALDH1A1
SCHEMBL6628756 0.77 CHRNB2 (0.56) GAAKMT2APLA2G1BATG4BALDH1A1
SCHEMBL2938449 0.77 PLA2G1B (0.47) GAAKMT2APLA2G1BATG4BALDH1A1

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-6888004-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US claimed
US-4432985-A N-alkylated carboxylic acid derivatives as anti-convulsant agents ABBOTT LABORATORIES (US) 1984-02-21 US claimed
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-7125990-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 US disclosed
US-6888004-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US disclosed
US-20040254382-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US disclosed
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 US disclosed
US-20040225001-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 US disclosed
EP-1359916-A4 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-04-07 EP disclosed
EP-1359916-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-12 EP disclosed
US-20020183375-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-12-05 US disclosed
WO-2002058704-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed
US-4432985-A N-alkylated carboxylic acid derivatives as anti-convulsant agents ABBOTT LABORATORIES (US) 1984-02-21 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 (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-20040225001-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 GAA 4134/4885KMT2A 4374/4885PLA2G1B 3678/4885
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 GAA 4134/4885KMT2A 4374/4885PLA2G1B 3678/4885
US-20020183375-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 GAA 4134/4885KMT2A 4374/4885PLA2G1B 3678/4885
US-20040254382-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 GAA 4134/4885KMT2A 4374/4885PLA2G1B 3678/4885
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 GAA 4134/4885KMT2A 4374/4885PLA2G1B 3678/4885

“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.