SCHEMBL4247232

SCHEMBL4247232

CC(N)CCN(C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL18490871 1.00 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6670962 0.89 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1979560 0.82 ALDH1A1 (0.32) MEN1HTTKMT2AL3MBTL1ALDH1A1
SCHEMBL1979536 0.82 ALDH1A1 (0.32) MEN1HTTKMT2AL3MBTL1ALDH1A1
SCHEMBL1979253 0.82 ALDH1A1 (0.32) MEN1HTTKMT2AL3MBTL1ALDH1A1
SCHEMBL1025240 0.81
SCHEMBL5437634 0.81 CA2 (0.31) ALDH1A1
SCHEMBL29155900 0.81 GABRR1 (0.32) GABBR2GABBR1GABRR1
SCHEMBL29155897 0.81 GABRR1 (0.32) GABBR2GABBR1GABRR1
Hydrochloric Acid SCHEMBL4854002 0.79

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
US-9751864-B2 Methods for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-09-05 US disclosed
US-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
EP-2035426-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2009-03-18 EP disclosed
WO-2007144384-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2007-12-21 WO 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-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 GABRP 237/4885GABRD 179/4885GABRA1 160/4885

“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.