SCHEMBL1634186

SCHEMBL1634186

C[C@H](NC(CO)C1CC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
RECQL P46063 1/20 0.43
ACP3 P15309 2/20 0.41
EPHX1 P07099 2/20 0.40
LMNA P02545 2/20 0.40
TRPA1 O75762 2/20 0.40
PRCP P42785 1/20 0.39
APAF1 O14727 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
SMPD1 P17405 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL1634184 1.00 GAA (0.45) GAAL3MBTL1SIGMAR1RECQLACP3
SCHEMBL27837886 1.00 GAA (0.45) GAAL3MBTL1SIGMAR1RECQLACP3
SCHEMBL2547630 0.87 GAA (0.45) GAAL3MBTL1SIGMAR1RECQLACP3
SCHEMBL12410226 0.85 GAA (0.46) GAAL3MBTL1SIGMAR1RECQLACP3
SCHEMBL1559707 0.81 GAA (0.42) GAAL3MBTL1SIGMAR1RECQLACP3
SCHEMBL12759518 0.81 GAA (0.42) GAAL3MBTL1SIGMAR1RECQLACP3
SCHEMBL1559844 0.81 GAA (0.42) GAAL3MBTL1SIGMAR1RECQLACP3
SCHEMBL24129831 0.77 GAA (0.52) GAAL3MBTL1SIGMAR1RECQLACP3
SCHEMBL4273016 0.74 SIGMAR1 (0.63) SIGMAR1ACP3LMNATRPA1APAF1
SCHEMBL17530043 0.74 SIGMAR1 (0.63) SIGMAR1ACP3LMNATRPA1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303867-B1 PYRAZINONE MODULATOR OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-12-17 EP disclosed
CN-102171205-B Pyrazinone modulators of corticotropin releasing factor receptor activity BRISTOL MYERS SQUIBB CO 2013-08-07 CN disclosed
US-8372847-B2 Pyrazinone modulator of corticotropin-releasing factor receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 US disclosed
CN-102171205-A Pyrazinone modulators of corticotropin releasing factor receptor activity BRISTOL MYERS SQUIBB CO 2011-08-31 CN disclosed
US-20110166160-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2011-07-07 US disclosed
US-7932256-B2 (S)-4-(1-cyclopropyl-2-methoxyethyl)-6-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)-5-oxo-4,5-dihydropyrazine-2-carbonitrile: a pyrazinone modulator of corticotropin-releasing factor receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-26 US disclosed
US-20100029684-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 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-20100029684-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity CRH, CRHR1, CRHR2 GAA 4565/4885L3MBTL1 4861/4885SIGMAR1 202/4885
US-20110166160-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity CRH, CRHR1, CRHR2 GAA 4565/4885L3MBTL1 4861/4885SIGMAR1 202/4885

“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.