SCHEMBL2293095

SCHEMBL2293095

CCNc1ncc2c(n1)N1CCCC1CN(c1cccc(C(=O)OCC)c1)C2=O

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 20/20 0.70
CACNA2D2 Q9NY47 1/20 0.70
SLC6A2 P23975 6/20 0.65

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
SCHEMBL2287727 0.90 CACNA2D1 (0.71) CACNA2D1CACNA2D2SLC6A2
SCHEMBL2287716 0.90 CACNA2D1 (0.71) CACNA2D1CACNA2D2SLC6A2
SCHEMBL2286139 0.89 CACNA2D1 (0.69) CACNA2D1CACNA2D2SLC6A2
SCHEMBL2286129 0.89 CACNA2D1 (0.69) CACNA2D1CACNA2D2SLC6A2
SCHEMBL2292670 0.87 CACNA2D1 (0.67) CACNA2D1CACNA2D2SLC6A2
SCHEMBL2288362 0.87 CACNA2D1 (0.52) CACNA2D1CACNA2D2SLC6A2
SCHEMBL2288995 0.87 CACNA2D1 (0.52) CACNA2D1CACNA2D2SLC6A2
SCHEMBL2286131 0.85 CACNA2D1 (0.73) CACNA2D1CACNA2D2SLC6A2
SCHEMBL2291162 0.84 CACNA2D1 (0.72) CACNA2D1CACNA2D2SLC6A2
SCHEMBL2286938 0.84 CACNA2D1 (0.69) CACNA2D1CACNA2D2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163554-B1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2012-08-01 EP disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
EP-2163554-A1 PYRIMIDODIAZEPINONE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2010-03-17 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-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D CACNA2D1 624/4885CACNA2D2 794/4885SLC6A2 181/4885

“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.