SCHEMBL22367341

SCHEMBL22367341

COc1ccc(CN2CCN(C(=O)O)CC(CO)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP1 P03956 1/20 0.46
MMP13 P45452 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
FAAH O00519 1/20 0.43
GRM2 Q14416 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HDAC1 Q13547 1/20 0.43
CYP3A4 P08684 1/20 0.42
DPP4 P27487 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL29967447 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1MMP1MMP13SMN1; SMN2
SCHEMBL22367263 0.86 ALDH1A1 (0.46) ALDH1A1L3MBTL1MMP1MMP13SMN1; SMN2
SCHEMBL22367383 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1MMP1MMP13SMN1; SMN2
SCHEMBL22367260 0.79 CHRM5 (0.44) ALDH1A1L3MBTL1MMP1MMP13MEN1
SCHEMBL26697729 0.77 SIGMAR1 (0.67) SMN1; SMN2KDM4ESIGMAR1FAAHPOLB
SCHEMBL16365463 0.77 TNKS (0.56)
SCHEMBL22367284 0.77 GAA (0.51) ALDH1A1L3MBTL1MMP1MMP13SMN1; SMN2
SCHEMBL18076430 0.74 ALDH1A1 (0.49) ALDH1A1L3MBTL1MMP1MMP13SMN1; SMN2
SCHEMBL28458829 0.73 ALDH1A1 (0.47) ALDH1A1L3MBTL1MMP1MMP13SMN1; SMN2
SCHEMBL4527713 0.73 CMA1 (0.47) ALDH1A1SMN1; SMN2GAAKDM4ESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700890-B1 ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2021-11-17 EP disclosed
US-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-24 US disclosed
EP-3700890-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-02 EP 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-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNB2, CACNA1G ALDH1A1 771/4885L3MBTL1 4607/4885MMP1 3888/4885

“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.