SCHEMBL20944684

SCHEMBL20944684

CN(CCNc1ccn(-c2ccccc2)n1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ELOVL1 Q9BW60 10/20 0.51
▸ CACNA1G O43497 1/20 0.51
▸ CACNA1H O95180 1/20 0.51
▸ CACNA1I Q9P0X4 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 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
SCHEMBL20968019 0.85 AAK1 (0.49) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL20944564 0.82 ELOVL1 (0.54) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL20944424 0.78 ELOVL1 (0.52) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL19492537 0.77 ELOVL1 (0.46) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL20944687 0.76 MAPT (0.55) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL10616565 0.73 MAPT (0.50) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL19492538 0.73 ELOVL1 (0.44) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL20944566 0.70 ELOVL1 (0.52) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL20944426 0.69 HTT (0.53) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL9646405 0.68 MAPT (0.62) MAPTTSHRHTTHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577360-B2 Arylamide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-03-03 — — US disclosed
US-20190127357-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-02 — — 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 (2 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-10577360-B2 Arylamide derivatives having multimodal activity against pain OPRD1, TRPV1, OPRL1 MAPT 1396/4885TSHR 1967/4885HTT 1680/4885
US-20190127357-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, TRPV1, OPRL1 MAPT 1396/4885TSHR 1967/4885HTT 1680/4885

“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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