SCHEMBL11893591

SCHEMBL11893591

COC(=O)C1CCC(CNC(=O)Cc2ccccc2N)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
GNRHR P30968 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL15099942 1.00 HPGD (0.44) HPGDALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL11893590 1.00 HPGD (0.44) HPGDALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL11893667 0.81 MEN1 (0.40) HPGDALDH1A1CYP2D6CYP2C9HSD17B10
SCHEMBL11893668 0.81 MEN1 (0.40) HPGDALDH1A1CYP2D6CYP2C9HSD17B10
SCHEMBL12799202 0.81 MEN1 (0.40) HPGDALDH1A1CYP2D6CYP2C9HSD17B10
SCHEMBL11894337 0.81 ALDH1A1 (0.56) ALDH1A1CYP2D6NPC1RAB9AMEN1
SCHEMBL11894339 0.81 ALDH1A1 (0.56) ALDH1A1CYP2D6NPC1RAB9AMEN1
SCHEMBL12798282 0.81 ALDH1A1 (0.56) ALDH1A1CYP2D6NPC1RAB9AMEN1
SCHEMBL1666506 0.80 ALDH1A1 (0.48) HPGDALDH1A1KDM4EHSD17B10NPC1
SCHEMBL12798265 0.80 ALDH1A1 (0.48) HPGDALDH1A1KDM4EHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 US disclosed
US-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 US disclosed
EP-2485728-B1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH SPA (IT) 2013-07-10 EP disclosed
EP-2485728-B1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH SPA (IT) 2013-07-10 EP disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 US disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 US disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 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-20120196851-A1 WNT PATHWAY ANTAGONISTS WNT1, WNT3A, CTNNB1 HPGD 1628/4885ALDH1A1 1797/4885KDM4E 3425/4885

“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.