SCHEMBL7679231

SCHEMBL7679231

CC(C)(C)OC(=O)N1Cc2cc(Br)ccc2C(C)(C)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.52
ESR2 Q92731 1/20 0.46
RORC P51449 3/20 0.44
HDAC1 Q13547 1/20 0.44
ABHD6 Q9BV23 3/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
USP30 Q70CQ3 2/20 0.40
MAPK1 P28482 1/20 0.40
NAMPT P43490 1/20 0.40
LMNA P02545 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
BACE1 P56817 1/20 0.37
ROCK2 O75116 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL29407058 1.00 NR1H2 (0.52) NR1H2ESR2RORCHDAC1ABHD6
SCHEMBL12283366 0.86 ESR2 (0.48) NR1H2ESR2RORCHDAC1ABHD6
SCHEMBL29390606 0.86 ESR2 (0.48) NR1H2ESR2RORCHDAC1ABHD6
SCHEMBL30644260 0.86 ABHD6 (0.45) NR1H2ESR2RORCHDAC1ABHD6
SCHEMBL29507872 0.85 NR1H2 (0.64) NR1H2ESR2RORCHDAC1DDB1
SCHEMBL12279892 0.85 NR1H2 (0.52) NR1H2ESR2RORCHDAC1DDB1
SCHEMBL446262 0.85 NR1H2 (0.64) NR1H2ESR2RORCHDAC1DDB1
SCHEMBL18325499 0.84 NR1H2 (0.49) NR1H2ESR2RORCHDAC1ABHD6
SCHEMBL18322102 0.84 NR1H2 (0.49) NR1H2ESR2RORCHDAC1ABHD6
SCHEMBL29404795 0.84 NR1H2 (0.49) NR1H2ESR2RORCHDAC1ABHD6

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-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
US-6358974-B1 USED AS AS MODULATORS OF DOPAMINE D.SUB.3 RECEPTORS, IN THERAPY AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-19 US disclosed
EP-1137638-A2 ISOQUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-04 EP disclosed
WO-2000024717-A2 ISOQUINOLINE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-04 WO 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 (1 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 NR1H2 794/4885ESR2 2034/4885RORC 4483/4885

“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.