SCHEMBL29874963

SCHEMBL29874963

CO[C@@H]1CC[C@H](N2C=Cc3ccccc3C2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL29875020 0.92 CYP3A4 (0.32) DRD2DRD3CYP3A4CYP2D6HIF1A
SCHEMBL28294761 0.82 PARP1 (0.37) KCNH2
SCHEMBL19691139 0.75 MAPK1 (0.35) KCNH2
SCHEMBL30364155 0.75 MAPK1 (0.35) KCNH2
SCHEMBL30399174 0.72 HTR2C (0.42) HTR2AHTR2CADRA1AHRH1HTR2B
SCHEMBL27898029 0.70 HTR2C (0.39) HTR2AHTR2CHTR2BHTR6
SCHEMBL4553200 0.69 HSD11B1 (0.43) OPRM1HSD11B1
SCHEMBL28807401 0.68 PARP1 (0.39) HTR2AHTR2CHTR2BHTR6HTR3E
SCHEMBL27917868 0.68 PARP1 (0.39) HTR2AHTR2CHTR2BHTR6HTR3E
SCHEMBL27936370 0.68 PARP1 (0.39) HTR2AHTR2CHTR2BHTR6HTR3E

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-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2022-11-22 US disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 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 (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-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DRD2 3421/4885DRD3 2987/4885CYP3A4 691/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DRD2 3421/4885DRD3 2987/4885CYP3A4 691/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DRD2 3421/4885DRD3 2987/4885CYP3A4 691/4885

“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.