SCHEMBL3511232

SCHEMBL3511232

Cn1c(-c2cc(N3CCN(C(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)CC3)ccc2F)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 2/20 0.42
HSD17B10 Q99714 1/20 0.42
WNT3 P56703 2/20 0.41
SFRP1 Q8N474 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
SMO Q99835 4/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDK2 Q15119 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL3511236 1.00 UCHL1 (0.42) UCHL1HSD17B10WNT3SFRP1HRH2
SCHEMBL13033653 0.89 SMO (0.40) SMOOPRM1OPRD1OGFRL1PDK2
SCHEMBL13033654 0.89 SMO (0.40) SMOOPRM1OPRD1OGFRL1PDK2
SCHEMBL3510738 0.87 PDK2 (0.49) SMOOPRM1OPRD1OGFRL1PDK2
SCHEMBL13033649 0.87 PDK2 (0.43) SMOOPRM1OPRD1OGFRL1PDK2
SCHEMBL13033825 0.87 UCHL1 (0.47) UCHL1HSD17B10HRH2HRH1SMO
SCHEMBL13033820 0.87 UCHL1 (0.47) UCHL1HSD17B10HRH2HRH1SMO
SCHEMBL13033822 0.85 SMO (0.46) UCHL1HSD17B10HRH2HRH1SMO
SCHEMBL13033827 0.85 SMO (0.46) UCHL1HSD17B10HRH2HRH1SMO
SCHEMBL13033726 0.84 SMO (0.47) UCHL1HSD17B10WNT3SFRP1HRH2

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
US-8592463-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2013-11-26 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
EP-2227456-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2010-09-15 EP disclosed
WO-2009074300-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2009-06-18 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO UCHL1 4282/4885HSD17B10 3156/4885WNT3 15/4885

“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.