SCHEMBL21083786

SCHEMBL21083786

CCCc1nc(CC)c(C(=O)O)n1Cc1ccc(-c2cc(-c3ccccc3)ccc2C(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.64
PPARG P37231 3/20 0.58

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
SCHEMBL29726885 1.00 AGTR1 (0.64) AGTR1PPARG
SCHEMBL29308424 0.90 AGTR1 (0.65) AGTR1PPARG
SCHEMBL31062488 0.87 AGTR1 (0.60) AGTR1PPARG
SCHEMBL29726820 0.84 AGTR1 (0.85) AGTR1
SCHEMBL21083855 0.84 AGTR1 (0.85) AGTR1
SCHEMBL30849970 0.84 AGTR1 (0.60) AGTR1
SCHEMBL21083578 0.84 AGTR1 (0.60) AGTR1
SCHEMBL21125386 0.84 AGTR1 (0.57) AGTR1PPARG
SCHEMBL29726890 0.84 AGTR1 (0.57) AGTR1PPARG
SCHEMBL21083640 0.83 AGTR2 (0.66) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 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 (3 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-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 AGTR1 7/4885PPARG 268/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 AGTR1 7/4885PPARG 268/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 AGTR1 7/4885PPARG 268/4885

“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.