SCHEMBL25845320

SCHEMBL25845320

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.45
MMP13 P45452 5/20 0.44
MMP1 P03956 5/20 0.44
MMP9 P14780 5/20 0.44
MMP3 P08254 4/20 0.44
MMP7 P09237 4/20 0.44
MMP8 P22894 3/20 0.44
MMP2 P08253 3/20 0.44
STS P08842 1/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SRC P12931 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL20475212 0.94 GPR119 (0.47) GPR119ALDH1A1HTTMMP13MMP1
SCHEMBL19167219 0.89 MAPT (0.50) GPR119ALDH1A1HTTMMP13MMP1
SCHEMBL25845399 0.87 ESR2 (0.46) GPR119MAPTKDM4ELMNASRC
SCHEMBL27097266 0.84 ALDH1A1 (0.50) GPR119ALDH1A1HTTMMP13MMP1
SCHEMBL19167223 0.83 GPR119 (0.45) GPR119ALDH1A1HTTMMP13MMP1
SCHEMBL18617960 0.83 MAPT (0.49) GPR119ALDH1A1HTTMMP13MMP1
SCHEMBL25845395 0.83 PRMT5 (0.49) GPR119MAPTKDM4EMEN1KMT2A
SCHEMBL23040394 0.82 ALDH1A1 (0.47) GPR119ALDH1A1HTTMMP13MMP1
SCHEMBL14718587 0.81 GPR119 (0.47) GPR119ALDH1A1HTTMMP13MMP1
SCHEMBL20476100 0.79 ALDH1A1 (0.53) GPR119ALDH1A1HTTMMP13MMP1

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 GPR119 340/4885ALDH1A1 807/4885HTT 844/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 GPR119 366/4885ALDH1A1 929/4885HTT 752/4885

“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.