SCHEMBL10325477

SCHEMBL10325477

CCOC(=O)C[C]CC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 2/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP3 Q96P20 1/20 0.36
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL28440518 0.85 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL25408509 0.85
SCHEMBL70685 0.82
SCHEMBL11419005 0.82 GAA (0.57) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3370470 0.80
SCHEMBL6750259 0.80
Ammonia Solution, Strong SCHEMBL8823685 0.80
SCHEMBL28807956 0.80 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11063668 0.78
Alcohol SCHEMBL28652002 0.78 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1

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
EP-3207930-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 EP disclosed
CN-106518851-A Substituted benzoazepines as toll-like receptor modulators 帆德制药股份有限公司 2017-03-22 CN disclosed
EP-2663555-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
CN-103562201-B Substituted benzazepines as modulators of TOLL-like receptors 帆德制药股份有限公司 2016-10-19 CN disclosed
US-20140088085-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC (US) 2014-03-27 US disclosed
CN-103562201-A Substituted benzazepines as modulators of TOLL-like receptors VENTIRX PHARMACEUTICALS INC 2014-02-05 CN disclosed
EP-2663555-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2013-11-20 EP disclosed
WO-2012097177-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2012-07-19 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-20140088085-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators TLR8, TLR9, TLR1 MGAM 3055/4885GAA 3674/4885SI 3915/4885

“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.