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SCHEMBL21084009

SCHEMBL21084009

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cc(Cl)ccc2C(=O)OC)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.80
▸ AGTR1 P30556 3/20 0.65
▸ LTB4R2 Q9NPC1 3/20 0.65
▸ AGTR2 P50052 2/20 0.56
▸ ABCC3 O15438 1/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ EDNRA P25101 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ PDE3A Q14432 1/20 0.55
▸ SLC10A1 Q14973 1/20 0.55

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
SCHEMBL21084012 0.90 ACHE (0.83) ACHEAGTR1LTB4R2AGTR2
SCHEMBL21083538 0.82 ACHE (0.79) ACHEAGTR1LTB4R2AGTR2ABCC3
SCHEMBL25084463 0.81 ACHE (0.69) ACHEAGTR1LTB4R2AGTR2ABCC3
SCHEMBL21083733 0.81 AGTR1 (0.83) ACHEAGTR1LTB4R2
SCHEMBL25000106 0.80 AGTR1 (0.72) ACHEAGTR1LTB4R2AGTR2ABCC3
SCHEMBL21083864 0.79 AGTR1 (0.81) ACHEAGTR1LTB4R2AGTR2ABCC3
SCHEMBL684147 0.79 AGTR1 (1.00) ACHEAGTR1LTB4R2
SCHEMBL10027905 0.78 AGTR1 (0.84) ACHEAGTR1LTB4R2
SCHEMBL683871 0.78 AGTR1 (1.00) ACHEAGTR1LTB4R2
SCHEMBL13539734 0.78 ACHE (0.61) ACHEAGTR1LTB4R2AGTR2ABCC3

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

“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.