SCHEMBL1667031

SCHEMBL1667031

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.62
CYP3A4 P08684 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
ITGB2 P05107 2/20 0.51
ICAM1 P05362 2/20 0.51
ITGAL P20701 2/20 0.51
FAAH O00519 2/20 0.50
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
HRH4 Q9H3N8 5/20 0.49
HRH3 Q9Y5N1 4/20 0.49
SLC7A5 Q01650 1/20 0.49
HRH2 P25021 2/20 0.47
SLC15A2 Q16348 1/20 0.47

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
SCHEMBL10339074 0.99 SLC6A5 (0.60) SLC6A5CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL28830125 0.88 SLC6A5 (0.61) SLC6A5CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL18748761 0.88 SLC6A5 (0.52) SLC6A5CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL18748760 0.84 SLC6A5 (0.53) SLC6A5CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL15412861 0.84 CPB2 (0.61) SLC6A5CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL1666697 0.84 ALDH1A1 (0.58) SLC6A5CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL29152626 0.84 QPCT (0.57) SLC6A5CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL29152624 0.84 QPCT (0.57) SLC6A5CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL17204083 0.82 SLC6A5 (0.87) SLC6A5CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL15650015 0.82 SLC6A5 (0.87) SLC6A5CYP3A4ALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120231999-A1 PEPTIDIC GLP-2 AGONISTS FERRING B.V. (NL) 2012-09-13 US disclosed
EP-2314616-A1 Peptidic GLP-2 agonists Ferring B.V. (NL) 2011-04-27 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-20120231999-A1 PEPTIDIC GLP-2 AGONISTS GLP1R, GIPR, IAPP SLC6A5 1755/4885CYP3A4 3128/4885ALDH1A1 4333/4885

“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.