SCHEMBL20186756

SCHEMBL20186756

CCN(C(=O)O)C(C)CN

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.33
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
LMNA P02545 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
SCHEMBL20186754 1.00 GABRR1 (0.33) GABRR1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL20186794 1.00 GABRR1 (0.33) GABRR1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL967292 0.81 PGR (0.31) PGRLMNA
SCHEMBL1021269 0.79 CA12 (0.35)
SCHEMBL28379525 0.77 CHRM1 (0.41) ADRA1A
SCHEMBL11611558 0.77 PTGS1 (0.36)
SCHEMBL11355835 0.77 EPHX2 (0.42)
SCHEMBL9435691 0.76
SCHEMBL967673 0.75
SCHEMBL18148922 0.75 KMT2A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed
US-20160030414-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 AUSPEX PHARMACEUTICALS, INC. 2016-02-04 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 (3 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D GABRR1 637/4885CACNA2D1 427/4885CACNB3 382/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D GABRR1 637/4885CACNA2D1 427/4885CACNB3 382/4885
US-20160030414-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 SLC18A2, ACAT2, SLC6A2 GABRR1 149/4885CACNA2D1 1934/4885CACNB3 743/4885

“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.