SCHEMBL1667212

SCHEMBL1667212

O=C(O)[C@H](Cc1cnc[nH]1)NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ITGB2 P05107 2/20 0.54
▸ ICAM1 P05362 2/20 0.54
▸ ITGAL P20701 2/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HRH4 Q9H3N8 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.52
▸ HRH2 P25021 1/20 0.52

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
SCHEMBL3599440 0.87 AGTR2 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C19ITGB2
SCHEMBL5907039 0.87 AGTR2 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C19ITGB2
SCHEMBL2980936 0.85 CYP3A4 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C19ITGB2
SCHEMBL2974165 0.84 ITGB2 (0.54) ALDH1A1CYP1A2CYP3A4CYP2C19ITGB2
SCHEMBL5869520 0.83 AGTR2 (0.61) CYP3A4ITGB2ICAM1ITGALMEN1
SCHEMBL8250332 0.83 AGTR2 (0.61) CYP3A4ITGB2ICAM1ITGALMEN1
SCHEMBL9554563 0.81 GGT1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C19ITGB2
SCHEMBL9829801 0.80 AGTR2 (0.60) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL8249066 0.79 REN (0.53) —
SCHEMBL5870452 0.79 REN (0.53) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101531637-A A novel compound capable of restraining and blocking M2 ion channel activity and application thereof CHINESE ACADEMY OF SCIENCES GU 2009-09-16 — — CN claimed
CN-102711802-B Peptidic GLP-2 agonists 辉凌公司 2017-03-22 — — CN disclosed
EP-2490709-B1 PEPTIDIC GLP-2 AGONISTS FERRING BV (NL) 2014-11-26 — — EP disclosed
US-8580918-B2 Peptidic GLP-2 agonists FERRING B.V. (NL) 2013-11-12 — — US disclosed
CN-102711802-A Peptidic GLP-2 agonists FERRING BV 2012-10-03 — — CN disclosed
US-20120231999-A1 PEPTIDIC GLP-2 AGONISTS FERRING B.V. (NL) 2012-09-13 — — US disclosed
CN-101531637-B A novel compound capable of restraining and blocking M2 ion channel activity and application thereof CHINESE ACADEMY OF SCIENCES GUANGZHOU INST OF BIOMEDICINE AND HEALTH 2011-07-13 — — CN disclosed
EP-2314616-A1 Peptidic GLP-2 agonists Ferring B.V. (NL) 2011-04-27 — — EP disclosed
CN-101531637-A A novel compound capable of restraining and blocking M2 ion channel activity and application thereof CHINESE ACADEMY OF SCIENCES GU 2009-09-16 — — CN 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-20120231999-A1 PEPTIDIC GLP-2 AGONISTS GLP1R, GIPR, IAPP ALDH1A1 4333/4885CYP1A2 2441/4885CYP3A4 3128/4885

“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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