SCHEMBL24998852

SCHEMBL24998852

CCCCC(=O)N(Cc1ccc(-c2cc(-c3ccccc3)ccc2-c2nnn[nH]2)cc1)[C@H](C(=O)OC)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.63
LTB4R2 Q9NPC1 9/20 0.53
ABCB11 O95342 1/20 0.53
GP6 Q9HCN6 1/20 0.53

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
SCHEMBL21125607 1.00 AGTR1 (0.63) AGTR1LTB4R2ABCB11GP6
SCHEMBL27190996 0.92 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL2373 0.92 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2251 0.92 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL29669823 0.92 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2252 0.92 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL21125605 0.88 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6
SCHEMBL2353 0.86 AGTR1 (0.65) AGTR1LTB4R2ABCB11GP6
SCHEMBL683543 0.86 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6
SCHEMBL8482249 0.86 AGTR1 (0.63) 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 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
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-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 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-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 AGTR1 7/4885LTB4R2 133/4885ABCB11 1077/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 AGTR1 7/4885LTB4R2 133/4885ABCB11 1077/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 AGTR1 7/4885LTB4R2 133/4885ABCB11 1077/4885

“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.