SCHEMBL21084006

SCHEMBL21084006

CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2cc(Oc3ccccc3)ccc2-c2nn[nH]n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.83
ABCB11 O95342 1/20 0.83
EGFR P00533 1/20 0.83
ERBB2 P04626 1/20 0.83
CYP3A4 P08684 1/20 0.83
ADORA3 P0DMS8 1/20 0.83
CYP2C9 P11712 1/20 0.83
ADRB3 P13945 1/20 0.83
ADRA2B P18089 1/20 0.83
SLC6A2 P23975 1/20 0.83
TBXAS1 P24557 1/20 0.83
HTR2C P28335 1/20 0.83
PPARG P37231 1/20 0.83
HTR2B P41595 1/20 0.83
AGTR2 P50052 1/20 0.83
PDE3A Q14432 1/20 0.83
LTB4R2 Q9NPC1 1/20 0.83

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
SCHEMBL21125673 0.95 AGTR1 (0.77) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL21125206 0.95 AGTR1 (0.77) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL21125677 0.94 AGTR1 (0.76) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL21124899 0.93 AGTR1 (0.74) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL21125387 0.92 AGTR1 (0.73) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL21125237 0.92 AGTR1 (0.76) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL21083737 0.91 AGTR1 (0.88) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL29726879 0.91 AGTR1 (0.88) AGTR1ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL40832 0.91 ABCB11 (1.00) AGTR1ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL29687505 0.91 ABCB11 (1.00) AGTR1ABCB11EGFRERBB2CYP3A4

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 AGTR1 7/4885ABCB11 1077/4885EGFR 970/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 AGTR1 7/4885ABCB11 1077/4885EGFR 970/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 AGTR1 7/4885ABCB11 1077/4885EGFR 970/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 AGTR1 7/4885ABCB11 1077/4885EGFR 970/4885

“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.