SCHEMBL7128481

SCHEMBL7128481

N#CC1CCOc2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.44
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
PIM1 P11309 1/20 0.42
MAOB P27338 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 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
SCHEMBL768353 0.76 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL29959911 0.76 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL989344 0.75 CYP19A1 (0.47) CYP19A1MAOBPKMTSHRITGB2
SCHEMBL12852988 0.72 CYP19A1 (0.71) CYP19A1
SCHEMBL31724023 0.71 CYP19A1 (0.47) CYP19A1PIM1MAOBTSHR
SCHEMBL8015695 0.71 CYP19A1 (0.47) CYP19A1PIM1MAOBTSHR
SCHEMBL15603238 0.71 CYP19A1 (0.47) CYP19A1MAOBPKMTSHR
SCHEMBL922108 0.70 CYP19A1 (0.43) CYP19A1MAOBPKMTSHR
SCHEMBL10615035 0.70 KDM4E (0.49) CYP19A1MAOB
SCHEMBL10339510 0.69 CYP2A6 (0.46) CYP19A1PIM1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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 (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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 CYP19A1 175/4885IMPDH2 1601/4885IMPDH1 2267/4885

“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.