SCHEMBL21084019

SCHEMBL21084019

CCCCC(=O)N(Cc1ccc(-c2cc(-c3ccccn3)ccc2C#N)cc1)C1(C(=O)O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 18/20 0.41
AGTR1 P30556 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL21083693 0.93 LTB4R2 (0.38) LTB4R2AGTR1ACHE
SCHEMBL21083851 0.84 LTB4R2 (0.45) LTB4R2AGTR1ACHE
SCHEMBL21083532 0.84 LTB4R2 (0.47) LTB4R2AGTR1ACHE
SCHEMBL29726839 0.84 LTB4R2 (0.45) LTB4R2AGTR1ACHE
SCHEMBL21083703 0.84 LTB4R2 (0.41) LTB4R2AGTR1ACHE
SCHEMBL21083899 0.83 LTB4R2 (0.54) LTB4R2AGTR1
SCHEMBL29726856 0.83 LTB4R2 (0.54) LTB4R2AGTR1
SCHEMBL27191042 0.83 LTB4R2 (0.41) LTB4R2AGTR1ACHE
SCHEMBL21083746 0.82 RET (0.39) ACHE
SCHEMBL27191170 0.82 LTB4R2 (0.43) LTB4R2AGTR1

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
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
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 (4 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 LTB4R2 133/4885AGTR1 7/4885ACHE 1038/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 LTB4R2 133/4885AGTR1 7/4885ACHE 1038/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 LTB4R2 133/4885AGTR1 7/4885ACHE 1038/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 LTB4R2 133/4885AGTR1 7/4885ACHE 1038/4885

“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.