SCHEMBL3512952

SCHEMBL3512952

CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3nc4ccccc4n3C(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.49
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
MET P08581 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NAMPT P43490 1/20 0.43
ALK Q9UM73 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
GBA1 P04062 2/20 0.41

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
SCHEMBL3510738 0.91 PDK2 (0.49) PDK2OPRM1OPRD1OGFRL1MET
SCHEMBL16328101 0.91 MAPKAPK2 (0.40) PDK2GPR119MEN1KMT2A
SCHEMBL13033649 0.84 PDK2 (0.43) PDK2OPRM1OPRD1OGFRL1MAPT
SCHEMBL3510396 0.81 CCNB2 (0.44) MEN1KMT2A
SCHEMBL28343829 0.79 SMO (0.57) PDK2OPRM1OPRD1OGFRL1MAPT
SCHEMBL3511232 0.78 UCHL1 (0.42) PDK2OPRM1OPRD1OGFRL1MET
SCHEMBL3511236 0.78 UCHL1 (0.42) PDK2OPRM1OPRD1OGFRL1MET
SCHEMBL13033636 0.77 SIGMAR1 (0.45) ALDH1A1LMNATSHRKMT2ASMN1; SMN2
SCHEMBL13033654 0.77 SMO (0.40) PDK2OPRM1OPRD1OGFRL1MET
SCHEMBL13033653 0.77 SMO (0.40) PDK2OPRM1OPRD1OGFRL1MET

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-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

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 PDK2 2304/4885OPRM1 1662/4885OPRD1 730/4885

“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.