SCHEMBL13064015

SCHEMBL13064015

CN[C@@H]1CCCN(C(C)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
EPHX2 P34913 3/20 0.47
EPHX1 P07099 1/20 0.47
JAK3 P52333 3/20 0.41
JAK2 O60674 2/20 0.41
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL967528 1.00 CA1 (0.49) CA1CA2CA12CA9EPHX2
SCHEMBL12849107 1.00 CA1 (0.49) CA1CA2CA12CA9EPHX2
SCHEMBL12225565 0.88 EPHX2 (0.50) EPHX2EPHX1
SCHEMBL961566 0.88 EPHX2 (0.50) EPHX2EPHX1
SCHEMBL12820400 0.88 EPHX2 (0.50) EPHX2EPHX1
SCHEMBL28206408 0.86 CA1 (0.46) CA1CA2CA12CA9EPHX2
SCHEMBL3535134 0.85 CA1 (0.45) CA1CA2CA12CA9EPHX2
SCHEMBL2030025 0.85 CA1 (0.45) CA1CA2CA12CA9EPHX2
SCHEMBL3088177 0.85 CA1 (0.45) CA1CA2CA12CA9EPHX2
SCHEMBL23110169 0.83 CA1 (0.44) CA1CA2CA12CA9EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-10-26 US disclosed
US-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-07-16 US disclosed
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
WO-2010141539-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 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 (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-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF CYP2D6, DPYD, TPMT CA1 4227/4885CA2 1965/4885CA12 4017/4885
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof CYP2D6, DPYD, TPMT CA1 4227/4885CA2 1965/4885CA12 4017/4885

“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.