SCHEMBL3703096

SCHEMBL3703096

CCC1(CNC(=O)O)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
SMYD3 Q9H7B4 1/20 0.30
NPFFR1 Q9GZQ6 1/20 0.30
NPFFR2 Q9Y5X5 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
SCHEMBL16915700 0.86 OPRM1 (0.35) OPRM1KDM4EKMT2A
SCHEMBL21856225 0.83 CNR2 (0.33) OPRM1KDM4EKMT2ANPFFR1NPFFR2
SCHEMBL2330731 0.82 OPRM1 (0.35) OPRM1KDM4EKMT2A
SCHEMBL18319814 0.81 CYP2D6 (0.38) OPRM1KDM4EKMT2A
SCHEMBL19996109 0.81 OPRM1 (0.34) OPRM1KDM4EKMT2A
SCHEMBL1290782 0.77 SLC6A9 (0.34) KDM4EKMT2A
SCHEMBL6637726 0.77 HCRTR2 (0.39) OPRM1KDM4EKMT2A
SCHEMBL3707047 0.77 SMYD3 (0.45) OPRM1KDM4EKMT2ASMYD3NPFFR1
SCHEMBL1313231 0.75 SMYD3 (0.44) OPRM1KDM4EKMT2ASMYD3NPFFR1
SCHEMBL3713521 0.74 SMYD3 (0.37) OPRM1KDM4EKMT2ASMYD3

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
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-02-28 US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 US disclosed
EP-3630770-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS Relay Therapeutics, Inc. (US) 2020-04-08 EP disclosed
WO-2018218133-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. (US) 2018-11-29 WO disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 OPRM1 853/4885KDM4E 3815/4885KMT2A 3528/4885
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 OPRM1 4172/4885KDM4E 1215/4885KMT2A 1636/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 OPRM1 4566/4885KDM4E 856/4885KMT2A 1291/4885

“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.