SCHEMBL3909239

SCHEMBL3909239

CC(=O)N1CCc2ccc(I)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.63
HRH3 Q9Y5N1 2/20 0.50
DPP7 Q9UHL4 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
AKR1C3 P42330 2/20 0.45
NR1H2 P55055 1/20 0.45
F10 P00742 2/20 0.44
PRMT5 O14744 1/20 0.43
MCHR1 Q99705 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PTAFR P25105 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL12287671 0.82 NOTUM (0.65) NOTUMHRH3DPP7ESR1ESR2
SCHEMBL3895820 0.82 ESR2 (0.66) NOTUMHRH3ESR1ESR2NR1H2
SCHEMBL8221038 0.81 NOTUM (0.63) NOTUMHRH3ESR1ESR2MCHR1
SCHEMBL4518190 0.81 NOTUM (0.63) NOTUMHRH3DPP7ESR1ESR2
SCHEMBL6188423 0.81 NOTUM (0.63) NOTUMHRH3ESR1ESR2NR1H2
SCHEMBL397687 0.81 NR1H2 (0.66) NOTUMHRH3ESR1ESR2NR1H2
SCHEMBL30575058 0.81 NOTUM (0.63) NOTUMHRH3DPP7ESR1ESR2
SCHEMBL30561545 0.81 NR1H2 (0.66) NOTUMHRH3ESR1ESR2NR1H2
SCHEMBL2616863 0.80 ESR1 (0.72) NOTUMDPP7ESR1ESR2AKR1C3
SCHEMBL1365173 0.80 NR1H2 (0.72) DPP7ESR1ESR2NR1H2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654251-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-03-11 EP disclosed
US-20060205740-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-09-14 US disclosed
EP-1654251-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005016914-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 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-20060205740-A1 Chemical compounds ERBB2, ERBB4, ERBB3 NOTUM 1782/4885HRH3 1546/4885DPP7 1499/4885

“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.