SCHEMBL19564652

SCHEMBL19564652

CSc1ncc2c(n1)N(C)CCN(c1cccc(CO[C@@H](CCN(C)C(=O)OC(C)(C)C)c3ccccc3)c1)C2=O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.71
CACNA2D1 P54289 20/20 0.71

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
SCHEMBL19564653 1.00 SLC6A2 (0.71) SLC6A2CACNA2D1
SCHEMBL19552898 1.00 SLC6A2 (0.71) SLC6A2CACNA2D1
SCHEMBL21770738 0.93 CACNA2D1 (0.61) SLC6A2CACNA2D1
SCHEMBL19553027 0.92 SLC6A2 (0.77) SLC6A2CACNA2D1
SCHEMBL19553025 0.92 SLC6A2 (0.77) SLC6A2CACNA2D1
SCHEMBL19553438 0.92 SLC6A2 (0.77) SLC6A2CACNA2D1
SCHEMBL21770736 0.92 CACNA2D1 (0.60) SLC6A2CACNA2D1
SCHEMBL19564664 0.91 CACNA2D1 (0.70) SLC6A2CACNA2D1
SCHEMBL21770642 0.91 SLC6A2 (0.64) SLC6A2CACNA2D1
SCHEMBL19564666 0.91 CACNA2D1 (0.70) SLC6A2CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144455-A1 TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-16 US disclosed
WO-2017191304-A1 TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-11-09 WO 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-20190144455-A1 TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1G, CACNA1B, CACNA1D SLC6A2 83/4885CACNA2D1 12/4885

“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.