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SCHEMBL22229447

SCHEMBL22229447

CC(C)(C)[S@+]([O-])NC(CCC(F)(F)F)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.37
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ HRH1 P35367 4/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ ADRA1A P35348 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ CACNA1C Q13936 2/20 0.32
▸ CACNA1F O60840 1/20 0.32
▸ CACNA1D Q01668 1/20 0.32
▸ CACNA1S Q13698 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ EEF2K O00418 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL22229445 1.00 RIPK1 (0.37) RIPK1SLC6A2SLC6A4HRH1CHRM2
SCHEMBL22229446 1.00 RIPK1 (0.37) RIPK1SLC6A2SLC6A4HRH1CHRM2
SCHEMBL14123426 0.84 AOC3 (0.38) RIPK1HRH1CHRM2CHRM1ADRA2B
SCHEMBL2242090 0.84 AOC3 (0.38) RIPK1HRH1CHRM2CHRM1ADRA2B
SCHEMBL23006109 0.81 LMNA (0.39) RIPK1HRH1CHRM2CHRM1ADRA2B
SCHEMBL14123444 0.81 SMN1; SMN2 (0.33) RIPK1HRH1CHRM2CHRM1ADRA2B
SCHEMBL12355503 0.81 SMN1; SMN2 (0.33) RIPK1HRH1CHRM2CHRM1ADRA2B
SCHEMBL22100792 0.80 TAAR1 (0.40) RIPK1SLC6A2SLC6A4HRH1CHRM2
SCHEMBL28460556 0.80 TAAR1 (0.40) RIPK1SLC6A2SLC6A4HRH1CHRM2
SCHEMBL22100802 0.80 TAAR1 (0.40) RIPK1SLC6A2SLC6A4HRH1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11498903-B2 2-(1,1′-biphenyl)-1H-benzodimidazole derivatives and related compounds as apelin and APJ agonists for treating cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-15 — — US disclosed
US-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2020-07-23 — — US disclosed
US-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2020-07-23 — — 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 (2 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-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES APLNR, AP3B1, AP2B1 RIPK1 1329/4885SLC6A2 4023/4885SLC6A4 4373/4885
US-11498903-B2 2-(1,1′-biphenyl)-1H-benzodimidazole derivatives and related compounds as apelin and APJ agonists for treating cardiovascular diseases APLNR, AP3B1, AP2B1 RIPK1 1374/4885SLC6A2 4020/4885SLC6A4 4368/4885

“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.