SCHEMBL13579951

SCHEMBL13579951

CC1CCCC(CNC(=O)OC(C)(C)C)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ ACACB O00763 5/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ ACACA Q13085 3/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17915686 0.91 KMT2A (0.46) EPHX1KMT2ADRD2ACACBCTSS
SCHEMBL6647123 0.91 EPHX1 (0.48) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL228180 0.87 EPHX1 (0.50) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL23562337 0.85 KMT2A (0.43) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL23562349 0.85 KMT2A (0.43) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL13579957 0.85 KMT2A (0.44) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL14548191 0.85 EPHX1 (0.43) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL30772783 0.85 EPHX1 (0.43) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL7817045 0.85 EPHX1 (0.43) EPHX1BTKKMT2ADRD2ACACB
SCHEMBL13781382 0.85 KMT2A (0.44) EPHX1BTKKMT2ADRD2ACACB

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-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 — — US disclosed
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 — — EP 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-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 — — 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-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 EPHX1 4350/4885BTK 2164/4885KMT2A 3454/4885
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 EPHX1 3844/4885BTK 2890/4885KMT2A 2496/4885

“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.

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