SCHEMBL1764082

SCHEMBL1764082

COC(=O)c1cc(I)c(O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA7 P43166 5/20 0.46
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 5/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
CYP3A4 P08684 2/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
CFTR P13569 1/20 0.44
GAA P10253 4/20 0.43
XDH P47989 2/20 0.43
HPGD P15428 3/20 0.42
MYC P01106 1/20 0.41
NR4A2 P43354 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL30345042 0.93 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL25155265 0.93 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL31024714 0.86 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL25340450 0.86 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL20802859 0.85 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1920431 0.85 CFTR (0.46) CA12CA1CA2CA7CA9
SCHEMBL30280800 0.85 CFTR (0.46) CA12CA1CA2CA7CA9
SCHEMBL20366958 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL730244 0.82 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL27902660 0.82 CA12 (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12604895-B2 Pesticidally active cyclic amine compounds SYNGENTA CROP PROTECTION AG (CH) 2026-04-21 US disclosed
CN-115210218-B Pesticidally active cyclic amine compounds 先正达农作物保护股份公司 2025-05-16 CN disclosed
US-20230146180-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
US-20230146180-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
EP-4103549-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS Syngenta Crop Protection AG (CH) 2022-12-21 EP disclosed
CN-115210218-A Pesticidally active cyclic amine compounds 先正达农作物保护股份公司 2022-10-18 CN disclosed
WO-2021160680-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-08-19 WO disclosed
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
EP-2321274-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-18 EP disclosed
WO-2010005783-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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 (3 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-20230146180-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS DDT, ACHE, PNMT CA12 3883/4885CA1 1562/4885CA2 813/4885
US-12604895-B2 Pesticidally active cyclic amine compounds CLIC1, TUBA3C, CYCS CA12 3462/4885CA1 1219/4885CA2 294/4885
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors NHERF1, SLC9A1, SLC9A5 CA12 2879/4885CA1 1186/4885CA2 157/4885

“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.