SCHEMBL20970745

SCHEMBL20970745

CCNc1ncc2c(n1)N(C)CCN(c1cccc(-n3cc(CN(C)Cc4ccccc4)nn3)c1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 20/20 1.00
SLC6A2 P23975 10/20 1.00

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
SCHEMBL19553551 0.94 CACNA2D1 (1.00) CACNA2D1SLC6A2
SCHEMBL19553570 0.94 CACNA2D1 (1.00) CACNA2D1SLC6A2
SCHEMBL19552905 0.94 CACNA2D1 (1.00) CACNA2D1SLC6A2
SCHEMBL19553198 0.93 CACNA2D1 (1.00) CACNA2D1SLC6A2
SCHEMBL19552990 0.93 CACNA2D1 (1.00) CACNA2D1SLC6A2
SCHEMBL19553648 0.92 CACNA2D1 (1.00) CACNA2D1SLC6A2
SCHEMBL21747606 0.91 CACNA2D1 (0.84) CACNA2D1SLC6A2
SCHEMBL19553668 0.91 CACNA2D1 (1.00) CACNA2D1SLC6A2
SCHEMBL19553328 0.90 CACNA2D1 (0.85) CACNA2D1SLC6A2
SCHEMBL19553013 0.90 CACNA2D1 (1.00) CACNA2D1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590140-B2 Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-03-17 US claimed
EP-3452475-B1 TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2020-02-26 EP claimed
US-20190144455-A1 TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-16 US claimed
US-10590140-B2 Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-03-17 US disclosed
EP-3452475-B1 TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2020-02-26 EP disclosed
US-20190144455-A1 TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-16 US disclosed
US-20190144455-A1 TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-16 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-20190144455-A1 TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1G, CACNA1B, CACNA1D CACNA2D1 12/4885SLC6A2 83/4885
US-10590140-B2 Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions CACNA1G, CACNA1B, CACNA1D CACNA2D1 12/4885SLC6A2 83/4885

“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.