SCHEMBL308451

SCHEMBL308451

CC(C)(C)C[C@@H]1CNCCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 4/20 0.34
CA9 Q16790 4/20 0.34
SIGMAR1 Q99720 1/20 0.33
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 1/20 0.30
SLC6A1 P30531 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRB2 P47870 2/20 0.30
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRR1 P24046 1/20 0.30
GABRA4 P48169 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
SCHEMBL18580634 1.00 PARP1 (0.36) PARP1CA1CA2CA4CA9
SCHEMBL308762 1.00 PARP1 (0.36) PARP1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL377441 0.98 PARP1 (0.35) PARP1CA1CA2CA4CA9
SCHEMBL7135323 0.85 CA1 (0.38) PARP1CA1CA2CA4CA9
SCHEMBL17821466 0.85 SIGMAR1 (0.36) SIGMAR1GABRA5GABRB2GABRA1GABRA4
SCHEMBL26615225 0.83 CA1 (0.34) PARP1CA1CA2CA4CA9
SCHEMBL918097 0.81 CA1 (0.36) PARP1CA1CA2CA4CA9
SCHEMBL4678845 0.81 CA1 (0.36) PARP1CA1CA2CA4CA9
SCHEMBL1715152 0.81 CA1 (0.36) PARP1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL17560356 0.79 CA1 (0.35) PARP1CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206732-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. 2025-06-26 US disclosed
US-20250136595-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2025-05-01 US disclosed
US-9174998-B2 (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-({6-[3-(piperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-11-03 US disclosed
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound PRISM PHARMA CO., LTD. (JP) 2015-06-25 US disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 EP disclosed
EP-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US disclosed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 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 (6 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-20250136595-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, ERBB4 PARP1 2023/4885CA1 695/4885CA2 1351/4885
US-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D PARP1 2838/4885CA1 3177/4885CA2 164/4885
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CACNA1B, CACNA1C, CACNB2 PARP1 2626/4885CA1 2525/4885CA2 165/4885
US-20250206732-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS KRAS, MDM2, VHL PARP1 1190/4885CA1 3988/4885CA2 3981/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 PARP1 4658/4885CA1 4766/4885CA2 3107/4885
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound WNT1, WNT3A, WNT3 PARP1 1406/4885CA1 1951/4885CA2 827/4885

“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.