SCHEMBL12424258

SCHEMBL12424258

CCC1CCCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.64
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX1 P07099 2/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GAA P10253 1/20 0.44
CTSK P43235 2/20 0.43
KAT8 Q9H7Z6 4/20 0.42
DRD2 P14416 2/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 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
SCHEMBL20689413 1.00 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL12424470 0.91 BTK (0.55) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL19156113 0.91 BTK (0.55) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL31512218 0.89 BTK (0.58) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL27667809 0.89 BTK (0.58) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL24448965 0.88 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL24449601 0.88 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL2377443 0.88 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL24448978 0.88 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL21027650 0.88 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 BTK 690/4885KMT2A 1997/4885L3MBTL1 3165/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR BTK 2890/4885KMT2A 2496/4885L3MBTL1 2514/4885

“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.