SCHEMBL20970809

SCHEMBL20970809

CNC(=O)OCCC(Oc1ccc(C#N)cc1)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 14/20 0.41
KMT2A Q03164 1/20 0.41
KCNA5 P22460 1/20 0.39
SLC7A5 Q01650 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37

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
SCHEMBL20917566 0.90 CACNA2D1 (0.44) CACNA2D1SLC6A2
SCHEMBL19553335 0.85 CACNA2D1 (0.44) CACNA2D1KMT2ASLC7A5SLC6A2SLC6A4
SCHEMBL19553109 0.84 CACNA2D1 (0.46) CACNA2D1SLC7A5SLC6A2
SCHEMBL22367338 0.81 CACNA2D1 (0.42) CACNA2D1SLC7A5SLC6A2
SCHEMBL19553164 0.81 CACNA2D1 (0.57) CACNA2D1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL19553166 0.81 CACNA2D1 (0.57) CACNA2D1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL22367424 0.80 CACNA2D1 (0.43) CACNA2D1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL22367305 0.80 CACNA2D1 (0.49) CACNA2D1SLC7A5SLC6A2SLC6A4SLC6A3
SCHEMBL20600180 0.80 CACNA2D1 (0.44) CACNA2D1SLC6A2SLC6A4SLC6A3
SCHEMBL19553665 0.80 CACNA2D1 (0.46) CACNA2D1SLC6A2SLC6A4SLC6A3

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-10590140-B2 Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-03-17 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 12/4885KMT2A 1200/4885KCNA5 75/4885
US-10590140-B2 Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions CACNA1G, CACNA1B, CACNA1D CACNA2D1 12/4885KMT2A 1200/4885KCNA5 75/4885

“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.