SCHEMBL2240918

SCHEMBL2240918

CC(C)N[N+]1(C(=O)OC(C)(C)C)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
BTK Q06187 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL5997502 0.80 EPHX1 (0.31) CA1CA2CA7
SCHEMBL4719980 0.80 BTK (0.32) BTKDGAT1GAA
SCHEMBL7350386 0.73
SCHEMBL2064367 0.72 HPGD (0.33) DGAT1GAA
SCHEMBL6608329 0.71 HPGD (0.32) DGAT1GAA
SCHEMBL5568399 0.71 HPGD (0.32) DGAT1GAA
SCHEMBL7603453 0.70 EPHX1 (0.31)
SCHEMBL2877401 0.70 DGAT1 (0.36) CA12CA14CA2DGAT1GAA
SCHEMBL5421441 0.69 HPGD (0.31) DGAT1GAA
SCHEMBL136090 0.69 HPGD (0.31) DGAT1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 CA12 1432/4885CA14 1888/4885BTK 2563/4885

“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.