SCHEMBL25845399

SCHEMBL25845399

CCC1=C(c2ccc(O)cc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
SRC P12931 2/20 0.39
GPR119 Q8TDV5 4/20 0.37
NR1H2 P55055 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM1A O60341 1/20 0.37
NAMPT P43490 1/20 0.37
PIK3CD O00329 1/20 0.37
GRIA1 P42261 1/20 0.36
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TGFBR1 P36897 1/20 0.36
DTYMK P23919 1/20 0.36
CKS1B P61024 1/20 0.36

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
SCHEMBL25845320 0.87 GPR119 (0.47) SRCGPR119KDM4ELMNAMAPT
SCHEMBL25845395 0.82 PRMT5 (0.49) GPR119MAPK1KDM4EMAPT
SCHEMBL23040360 0.81 ESR2 (0.42) ESR2SRCGPR119KDM4ELMNA
SCHEMBL20475212 0.81 GPR119 (0.47) SRCGPR119KDM4ELMNAMAPT
SCHEMBL20475182 0.77 PRMT5 (0.48) GPR119
SCHEMBL27097320 0.76 CHRM2 (0.44) PTPN2PTPN1PTPN6SRCGPR119
SCHEMBL19167219 0.76 MAPT (0.50) ESR2SRCGPR119NR1H2KDM4E
SCHEMBL26648112 0.74 MEN1 (0.47) ESR2PTPN2PTPN1PTPN6GPR119
SCHEMBL18618579 0.73 ESR2 (0.50) ESR2NR1H2KDM4ELMNAGAA
SCHEMBL16049290 0.73 ESR2 (0.46) ESR2GPR119NR1H2MAPK1NAMPT

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-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
US-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2023-07-18 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-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 ESR2 241/4885PTPN2 2058/4885PTPN1 1774/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 ESR2 232/4885PTPN2 2578/4885PTPN1 2346/4885

“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.