SCHEMBL23974107

SCHEMBL23974107

CCCCCC(=O)N[C@@H](Cc1ccc(OC(=O)CN)cc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.58
▸ ITGA2B P08514 4/20 0.58
▸ PTPN1 P18031 2/20 0.48
▸ GRIA1 P42261 1/20 0.48
▸ FAAH O00519 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ ACACB O00763 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ PSMB5 P28074 2/20 0.43
▸ CHRND Q07001 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
SCHEMBL19683175 1.00 ITGB3 (0.58) ITGB3ITGA2BPTPN1GRIA1FAAH
SCHEMBL23974228 0.89 ITGB3 (0.53) ITGB3ITGA2BPTPN1GRIA1FAAH
SCHEMBL24276096 0.86 ITGB3 (0.59) ITGB3ITGA2BPTPN1ALDH1A1HDAC1
SCHEMBL23974227 0.86 ITGB3 (0.59) ITGB3ITGA2BPTPN1ALDH1A1HDAC1
SCHEMBL19683215 0.84 ITGB3 (0.49) ITGB3ITGA2BPTPN1GRIA1FAAH
SCHEMBL19683213 0.83 ITGB3 (0.48) ITGB3ITGA2BPTPN1GRIA1FAAH
SCHEMBL24276204 0.83 ITGB3 (0.56) ITGB3ITGA2BPTPN1GRIA1FAAH
SCHEMBL19682976 0.82 ITGB3 (0.47) ITGB3ITGA2BPTPN1PSMB5
SCHEMBL13963521 0.81 ITGB3 (0.68) ITGB3ITGA2BFAAHALDH1A1HDAC1
SCHEMBL9666396 0.80 FAAH (0.65) ITGB3ITGA2BPTPN1FAAHHDAC1

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
EP-3464336-B1 COMPOUNDS ATHIRA PHARMA INC (US) 2022-03-16 — — EP disclosed
US-20210340176-A1 Compounds ATHIRA PHARMA, INC. (US) 2021-11-04 — — 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 (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-20210340176-A1 Compounds BACE1, BDNF, CLN6 ITGB3 4559/4885ITGA2B 4787/4885PTPN1 4872/4885

“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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