SCHEMBL22367281

SCHEMBL22367281

CN(CCC(OCc1ccc(CBr)cc1)c1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ SLC6A9 P48067 8/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL29967239 0.86 L3MBTL1 (0.38) CHRNB2CHRNA4AOC3L3MBTL1SLC6A9
SCHEMBL19553555 0.82 PTGES (0.43) TDP1KMT2ALMNA
SCHEMBL19553553 0.82 PTGES (0.43) TDP1KMT2ALMNA
SCHEMBL20917284 0.81 OPRK1 (0.42) AOC3MEN1KMT2AUTS2R
SCHEMBL20917274 0.78 SLC1A2 (0.40) UTS2RLMNA
SCHEMBL20917133 0.76 FFAR1 (0.41) UTS2R
SCHEMBL20917087 0.76 FFAR1 (0.51) MEN1KMT2AL3MBTL1LMNA
SCHEMBL22367283 0.76 TOP2A (0.39) CHRNB2CHRNA4CES2CES1LMNA
SCHEMBL20917068 0.74 PTGES (0.49) KMT2A
SCHEMBL15809613 0.73 SLC6A9 (0.53) SLC6A9

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 CHRNB2 76/4885CHRNA4 82/4885TDP1 3334/4885

“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.

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