SCHEMBL29967631

SCHEMBL29967631

COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CCC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
KDM1A O60341 1/20 0.52
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.46
STS P08842 1/20 0.45
KDM4E B2RXH2 1/20 0.44
P2RX3 P56373 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
SETD7 Q8WTS6 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL2262766 0.89 CYP3A4 (0.52) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL4788462 0.88 VEGFA (0.55) SMN1; SMN2KDM1ATP53STSP2RX3
SCHEMBL327042 0.87 TP53 (0.50) L3MBTL1TP53STSKDM4EHDAC1
SCHEMBL5313737 0.86 HDAC1 (0.61) ALDH1A1MAPTSMN1; SMN2LMNATP53
SCHEMBL22367284 0.84 GAA (0.51) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL8294396 0.83 MMP1 (0.47) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL10039879 0.83 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNAKDM1A
SCHEMBL23728272 0.80 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL11432095 0.79 GAA (0.68) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL22770534 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2022-08-02 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 (1 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-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions CACNA1B, CACNA1G, CACNA2D2 ALDH1A1 713/4885L3MBTL1 4623/4885MAPT 1145/4885

“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.