SCHEMBL23627355

SCHEMBL23627355

CCC(CC)c1coc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.43
CA2 P00918 1/20 0.41
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
MAOA P21397 3/20 0.39
PTPN1 P18031 1/20 0.39
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
HSD17B2 P37059 1/20 0.37
FTO Q9C0B1 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
PTGS2 P35354 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
SCHEMBL14270019 0.84 TSHR (0.47) MAOBCA2DRD2SLC6A4MAOA
SCHEMBL4146586 0.83 MAOB (0.44) MAOBCA2PSMB8PSMB5HSD17B2
SCHEMBL29756135 0.82 MAOB (0.40) MAOBCA2DRD2SLC6A4MAOA
SCHEMBL5240004 0.82 LMNA (0.44) MAOBCA2DRD2SLC6A4MAOA
SCHEMBL904863 0.78 MAOB (0.41) MAOBCA2MAOAPTPN1PSMB8
SCHEMBL27666046 0.77 MAOB (0.39) MAOBCA2DRD2SLC6A4MAOA
SCHEMBL4139411 0.77 MAOB (0.45) MAOBPSMB8PSMB5HSD17B2
SCHEMBL14270018 0.77 MAOB (0.50) MAOBMAOAPTPN1CYP17A1CYP19A1
SCHEMBL15536620 0.76 MAOB (0.49) MAOBMAOAPTPN1CYP17A1CYP19A1
SCHEMBL140190 0.75 CA2 (0.41) MAOBCA2MAOAPTPN1PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 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 (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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MAOB 215/4885CA2 3523/4885DRD2 707/4885

“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.