SCHEMBL15026749

SCHEMBL15026749

CC1CCC(C(=O)NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
BTK Q06187 1/20 0.40
APLNR P35414 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6027856 0.93 GAA (0.50) GAAKMT2AMEN1MAPK1BTK
SCHEMBL21389843 0.86 BTK (0.53) GAAKMT2AMEN1MAPK1BTK
SCHEMBL21588244 0.86 GAA (0.55) GAAKMT2AMEN1MAPK1BTK
SCHEMBL440268 0.85 GAA (0.44) GAAKMT2AMEN1MAPK1BTK
SCHEMBL440267 0.85 GAA (0.44) GAAKMT2AMEN1MAPK1BTK
SCHEMBL5281585 0.84 GAA (0.58) GAAKMT2AMEN1MAPK1BTK
SCHEMBL29129524 0.84 GAA (0.58) GAAKMT2AMEN1MAPK1BTK
SCHEMBL29129571 0.84 GAA (0.58) GAAKMT2AMEN1MAPK1BTK
SCHEMBL3916388 0.84 GAA (0.58) GAAKMT2AMEN1MAPK1BTK
SCHEMBL29129581 0.84 GAA (0.58) GAAKMT2AMEN1MAPK1BTK

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
EP-2804854-B1 SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-8889677-B2 Substituted triazoles useful as mGlu5 receptor modulators Boehringer Ingellheim International GmbH (DE) 2014-11-18 US disclosed
US-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-20130184248-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150341-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GAA 2160/4885KMT2A 1800/4885MEN1 4793/4885
US-20130184248-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 GAA 2417/4885KMT2A 1443/4885MEN1 4795/4885

“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.