SCHEMBL6552114

SCHEMBL6552114

COc1ccc2c(c1)CCC=C2Br

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.64
PRNP P04156 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP26A1 O43174 1/20 0.44
CYP27A1 Q02318 1/20 0.44
ELANE P08246 1/20 0.43
ABCB1 P08183 1/20 0.43
METAP1 P53582 1/20 0.42
CYP19A1 P11511 2/20 0.42
CYP11B2 P19099 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
BCL2 P10415 1/20 0.42
GLA P06280 1/20 0.41
MIF P14174 1/20 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
SCHEMBL30640469 1.00 MPO (0.64) MPOPRNPCYP1A2CYP2D6CYP26A1
SCHEMBL9616248 0.83 MPO (0.53) MPOCYP19A1CYP11B2KDM4EMAPT
SCHEMBL28323713 0.82 MPO (0.44) MPOPRNPCYP1A2CYP2D6CYP26A1
SCHEMBL316976 0.81 MPO (0.66) MPOCYP1A2CYP2D6CYP26A1ELANE
SCHEMBL12119770 0.81 MPO (0.66) MPOCYP1A2CYP2D6CYP26A1ELANE
SCHEMBL31285043 0.81 MPO (0.66) MPOCYP1A2CYP2D6CYP26A1ELANE
SCHEMBL4802603 0.80 MPO (0.60) MPOCYP1A2CYP2D6ELANEABCB1
SCHEMBL27001686 0.79 MPO (0.64) MPOCYP1A2CYP2D6ELANEABCB1
SCHEMBL6858889 0.78 MPO (0.57) MPOCYP26A1CYP27A1ELANEKDM4E
SCHEMBL17108416 0.77 MPO (0.59) MPOCYP1A2CYP2D6CYP26A1METAP1

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
EP-4400499-A1 GLUTARIMIDE COMPOUND AND USE THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed
EP-4310083-A1 FURAN FUSED RING-SUBSTITUTED GLUTARIMIDE COMPOUND Medshine Discovery Inc. (CN) 2024-01-24 EP disclosed
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
EP-3848363-B1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC (CN) 2023-07-19 EP disclosed
WO-2022262782-A1 GLUTARIMIDE-SUBSTITUTED ISOXAZOLE FUSED RING COMPOUND, AND APPLICATION THEREOF 南京明德新药研发有限公司 2022-12-22 WO disclosed
EP-3848363-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND Medshine Discovery Inc. (CN) 2021-07-14 EP disclosed
WO-2020070050-A1 FUNGICIDAL 5-SUBSTITUTED IMIDAZOL-1-YL CARBINOL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-09 WO disclosed
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 US disclosed
EP-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 EP 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E MPO 2781/4885PRNP 1199/4885CYP1A2 195/4885

“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.