SCHEMBL2795

SCHEMBL2795

CCOC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
AGTR1 P30556 16/20 0.54
LTB4R2 Q9NPC1 4/20 0.54
ABCB11 O95342 1/20 0.54
GP6 Q9HCN6 1/20 0.54
AGTR2 P50052 3/20 0.36

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
SCHEMBL2796 1.00 ALDH1A1 (0.54) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3117 0.93 AGTR1 (0.52) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3048 0.93 AGTR1 (0.52) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8482053 0.91 ALDH1A1 (0.46) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3085 0.91 AGTR1 (0.55) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL2423 0.91 AGTR1 (0.55) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL2482 0.91 ALDH1A1 (0.47) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3011 0.91 AGTR1 (0.51) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3185 0.91 AGTR1 (0.51) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28455057 0.90 AGTR1 (0.58) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP claimed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 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 (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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 ALDH1A1 1041/4885LMNA 3688/4885POLB 1250/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ALDH1A1 1565/4885LMNA 2155/4885POLB 1723/4885

“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.