SCHEMBL22367263

SCHEMBL22367263

CCNCC1CN(C(=O)O)CCN(Cc2ccc(OC)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44
PKM P14618 1/20 0.43
FAAH O00519 1/20 0.42
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 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
SCHEMBL28458829 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AMMP1
SCHEMBL22367341 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AMMP1
SCHEMBL22367383 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2AMMP1
SCHEMBL22367260 0.77 CHRM5 (0.44) ALDH1A1L3MBTL1MEN1KMT2AMMP1
SCHEMBL29967447 0.73 ALDH1A1 (0.48) ALDH1A1L3MBTL1MEN1KMT2AMMP1
SCHEMBL16365463 0.73 TNKS (0.56)
SCHEMBL22367284 0.73 GAA (0.51) ALDH1A1L3MBTL1MMP1MMP13PKM
SCHEMBL16423951 0.71 GAA (0.51) ALDH1A1L3MBTL1MMP1MMP13SMN1; SMN2
SCHEMBL18076430 0.70 ALDH1A1 (0.49) ALDH1A1L3MBTL1MEN1KMT2AMMP1
SCHEMBL2262769 0.69 GAA (0.44) ALDH1A1L3MBTL1MEN1KMT2AMMP1

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 4607/4885MEN1 4492/4885

“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.