SCHEMBL3215036

SCHEMBL3215036

N[C@H]1CCN(CC2CCn3c(=O)ccc4ccc(F)c2c43)C[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
SLC2A1 P11166 1/20 0.39
KCNH2 Q12809 5/20 0.34
TGFBR1 P36897 2/20 0.30
TGFBR2 P37173 2/20 0.30

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
SCHEMBL3149404 0.93 SLC2A1 (0.44) CYP19A1SLC2A1KCNH2TGFBR1TGFBR2
SCHEMBL3224644 0.85 SLC2A1 (0.40) SLC2A1KCNH2
SCHEMBL4554011 0.82 SLC2A1 (0.39) SLC2A1KCNH2
SCHEMBL3218053 0.82 CYP19A1 (0.39) CYP19A1
SCHEMBL3223237 0.80 SLC2A1 (0.42) SLC2A1KCNH2
SCHEMBL3224839 0.78 SLC2A1 (0.47) SLC2A1KCNH2
SCHEMBL3146445 0.78 SLC2A1 (0.47) SLC2A1KCNH2
SCHEMBL3326906 0.78 SLC2A1 (0.47) SLC2A1KCNH2
Hydrochloric Acid SCHEMBL3149069 0.77 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL3549685 0.77 KCNH2 (0.54) CYP19A1SLC2A1KCNH2TGFBR1TGFBR2

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-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 CYP19A1 3056/4885SLC2A1 4172/4885KCNH2 3105/4885

“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.