SCHEMBL22367284

SCHEMBL22367284

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
FAAH O00519 1/20 0.50
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
DPP4 P27487 1/20 0.48
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
HDAC1 Q13547 1/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP1 P03956 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45

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
SCHEMBL11432095 0.84 GAA (0.68) GAASMN1; SMN2ALDH1A1L3MBTL1POLB
SCHEMBL29967631 0.84 ALDH1A1 (0.55) GAASMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL6630360 0.80 SIGMAR1 (0.69) SMN1; SMN2FAAHALDH1A1LMNAPKM
SCHEMBL3459387 0.79 L3MBTL1 (0.64) GAASMN1; SMN2ALDH1A1L3MBTL1HDAC1
SCHEMBL4509396 0.79 ACACB (0.64) GAASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL20303832 0.77 L3MBTL1 (0.67) GAAALDH1A1L3MBTL1HDAC1MAPT
SCHEMBL22367341 0.77 ALDH1A1 (0.47) GAASMN1; SMN2FAAHALDH1A1L3MBTL1
SCHEMBL16365463 0.77 TNKS (0.56)
SCHEMBL3488361 0.75 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1CYP3A4POLB
SCHEMBL2262766 0.75 CYP3A4 (0.52) GAASMN1; SMN2ALDH1A1L3MBTL1LMNA

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 GAA 1057/4885SMN1; SMN2 1611/4885FAAH 877/4885

“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.