SCHEMBL1667938

SCHEMBL1667938

CC(C)CCN[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.44
CPB1 P15086 1/20 0.42
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 2/20 0.31
THRB P10828 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1667937 1.00 CPB2 (0.44) CPB2CPB1ALDH1A1CYP1A2CYP2C19
SCHEMBL20834533 0.87 CPB2 (0.39) CPB2CPB1ALDH1A1CYP1A2CYP2C19
SCHEMBL14199860 0.86 CPB2 (0.41) CPB2CPB1ALDH1A1CYP1A2CYP2C19
SCHEMBL7738755 0.86 CPB2 (0.49) CPB2CPB1ALDH1A1CYP1A2CYP2C19
SCHEMBL7738753 0.86 CPB2 (0.49) CPB2CPB1ALDH1A1CYP1A2CYP2C19
SCHEMBL3685448 0.84 CPB2 (0.50) CPB2CPB1ALDH1A1CYP1A2CYP2C19
SCHEMBL3685446 0.84 CPB2 (0.50) CPB2CPB1ALDH1A1CYP1A2CYP2C19
SCHEMBL3839540 0.83 CPB2 (0.55) CPB2CPB1ALDH1A1CYP1A2CYP2C19
SCHEMBL3845157 0.83 CPB2 (0.55) CPB2CPB1ALDH1A1CYP1A2CYP2C19
SCHEMBL11867249 0.83 CPB2 (0.39) CPB2CPB1ALDH1A1CYP1A2CYP2C19

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 6 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
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CPB2 16/4885CPB1 67/4885ALDH1A1 1305/4885
US-20120231999-A1 PEPTIDIC GLP-2 AGONISTS GLP1R, GIPR, IAPP CPB2 596/4885CPB1 1160/4885ALDH1A1 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.