SCHEMBL3248

SCHEMBL3248

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.56
LTB4R2 Q9NPC1 4/20 0.56
ABCB11 O95342 1/20 0.56
GP6 Q9HCN6 1/20 0.56
AGTR2 P50052 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3249 1.00 AGTR1 (0.56) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL684206 0.89 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL28403471 0.89 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3473688 0.88 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3473679 0.88 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL13222404 0.88 AGTR1 (0.63) AGTR1LTB4R2ABCB11GP6MEN1
SCHEMBL3473671 0.88 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL1560689 0.88 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408288 0.88 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2542 0.88 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6

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
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-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 AGTR1 3252/4885LTB4R2 609/4885ABCB11 4659/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR1 8/4885LTB4R2 254/4885ABCB11 4566/4885

“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.