SCHEMBL683543

SCHEMBL683543

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

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.64
LTB4R2 Q9NPC1 9/20 0.60
ABCB11 O95342 1/20 0.60
GP6 Q9HCN6 1/20 0.60

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
Acetic Acid SCHEMBL28371506 0.97 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL2252 0.94 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL29669823 0.94 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2251 0.94 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2373 0.94 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2950 0.93 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL2691 0.93 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL14193717 0.93 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL4473044 0.92 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6
SCHEMBL1824896 0.92 AGTR1 (0.59) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN claimed
CN-111265518-A Composition containing a mixture of biphenyl derivatives and uses thereof 黄泳华 2020-06-12 CN claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN disclosed
CN-111265518-A Composition containing a mixture of biphenyl derivatives and uses thereof 黄泳华 2020-06-12 CN 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
WO-2008135762-A1 PROCESS FOR PREPARING VALSARTAN CIPLA LIMITED (IN) 2008-11-13 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 (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.