SCHEMBL631573

SCHEMBL631573

CC(O)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
PDE2A O00408 3/20 0.40
ACP1 P24666 1/20 0.36
PNMT P11086 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
PTPN5 P54829 2/20 0.33
CES2 O00748 2/20 0.33
TACR1 P25103 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
ADRB2 P07550 2/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 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
SCHEMBL3594814 1.00 NOTUM (0.45) NOTUMPDE2AACP1PNMTIDO1
SCHEMBL3584815 1.00 NOTUM (0.45) NOTUMPDE2AACP1PNMTIDO1
SCHEMBL265045 0.86 PDE2A (0.46) PDE2APNMTIDO1TDO2PTPN5
SCHEMBL99424 0.86 PDE2A (0.46) PDE2APNMTIDO1TDO2PTPN5
SCHEMBL435108 0.86 PDE2A (0.46) PDE2APNMTIDO1TDO2PTPN5
SCHEMBL29927570 0.84 NOTUM (0.43) NOTUMPDE2AACP1IDO1TDO2
SCHEMBL13349992 0.84 NOTUM (0.43) NOTUMPDE2AACP1IDO1TDO2
SCHEMBL14918336 0.82 GABRA1 (0.37) GABRA1GABRB1
SCHEMBL3584929 0.82 NOTUM (0.42) NOTUMPDE2AACP1IDO1TDO2
SCHEMBL3588498 0.82 NOTUM (0.42) NOTUMPDE2AACP1IDO1TDO2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527325-B2 Pesticidally active diazine-amide compounds SYNGENTA CROP PROTECTION AG (CH) 2026-01-20 US disclosed
EP-3947358-B1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-06-18 EP disclosed
CN-113661165-B Pesticidally active diazine-amide compounds 先正达农作物保护股份公司 2025-05-23 CN disclosed
US-12281095-B2 Pesticidally active diazine-amide compounds SYNGENTA CROP PROTECTION AG (CH) 2025-04-22 US disclosed
CN-113631549-B Pesticidally active diazine-amide compounds 先正达农作物保护股份公司 2025-01-17 CN disclosed
US-20220185789-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-06-16 US disclosed
US-20220185789-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-06-16 US disclosed
US-20220159958-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-05-26 US disclosed
US-20220159958-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-05-26 US disclosed
EP-3947358-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS Syngenta Crop Protection AG (CH) 2022-02-09 EP disclosed
WO-2009064684-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-22 WO disclosed
WO-2009064684-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-22 WO disclosed
US-20090124613-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-20090124613-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-20090124613-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 WO disclosed
WO-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 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 (6 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-12527325-B2 Pesticidally active diazine-amide compounds DDT, CHRM1, C3AR1 NOTUM 302/4885PDE2A 938/4885ACP1 954/4885
US-20220185789-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS DDT, ACHE, NIT2 NOTUM 236/4885PDE2A 208/4885ACP1 1660/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 NOTUM 4726/4885PDE2A 1300/4885ACP1 4790/4885
US-12281095-B2 Pesticidally active diazine-amide compounds DDT, ACHE, NIT2 NOTUM 236/4885PDE2A 208/4885ACP1 1660/4885
US-20220159958-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS DDT, ACHE, NIT2 NOTUM 160/4885PDE2A 136/4885ACP1 2020/4885
US-20090124613-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 NOTUM 2417/4885PDE2A 2027/4885ACP1 4812/4885

“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.