SCHEMBL683871

SCHEMBL683871

CCCCC1=NC2(CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 1.00
LTB4R2 Q9NPC1 2/20 1.00
ACHE P22303 1/20 0.80

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
SCHEMBL684147 0.99 AGTR1 (1.00) AGTR1LTB4R2ACHE
SCHEMBL684160 0.93 AGTR1 (0.89) AGTR1LTB4R2ACHE
SCHEMBL10027905 0.91 AGTR1 (0.84) AGTR1LTB4R2ACHE
SCHEMBL21083733 0.90 AGTR1 (0.83) AGTR1LTB4R2ACHE
SCHEMBL26688979 0.84 ACHE (0.78) AGTR1LTB4R2ACHE
SCHEMBL4301348 0.83 AGTR2 (0.75) AGTR1LTB4R2ACHE
SCHEMBL25000106 0.83 AGTR1 (0.72) AGTR1LTB4R2ACHE
SCHEMBL809724 0.83 ACHE (0.72) AGTR1LTB4R2ACHE
SCHEMBL24360482 0.83 ACHE (0.72) AGTR1LTB4R2ACHE
SCHEMBL14607562 0.83 AGTR1 (0.72) AGTR1LTB4R2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 609/4885ACHE 406/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR1 8/4885LTB4R2 254/4885ACHE 43/4885

“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.