SCHEMBL3510438

SCHEMBL3510438

CC(C)(C)OC(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.48
▸ ADORA2A P29274 1/20 0.46
▸ GBA1 P04062 2/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ CKS1B P61024 2/20 0.45
▸ SKP1 P63208 2/20 0.45
▸ SKP2 Q13309 2/20 0.45
▸ PDK2 Q15119 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OGFRL1 Q5TC84 1/20 0.43
▸ PDE4D Q08499 1/20 0.42
▸ VCP P55072 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ KIT P10721 2/20 0.42
▸ SMO Q99835 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ESR2 Q92731 1/20 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
SCHEMBL3509645 0.93 GPR119 (0.49) GPR119ADORA2AGBA1JAK2JAK3
SCHEMBL13033621 0.90 GPR119 (0.46) GPR119ADORA2AGBA1JAK2JAK3
SCHEMBL13033594 0.88 POLB (0.42) GPR119CKS1BSKP1SKP2OPRM1
SCHEMBL13033591 0.88 UCHL1 (0.46) GPR119OPRM1OPRD1OGFRL1
SCHEMBL3512580 0.87 SMO (0.54) GPR119ADORA2AGBA1JAK2JAK3
SCHEMBL13033397 0.86 USP2 (0.47) PIK3CASMOALDH1A1
SCHEMBL13033593 0.86 P2RY12 (0.46) PIK3CASMOMAPTALDH1A1
SCHEMBL13033589 0.86 SMO (0.38) GPR119ADORA2AGBA1JAK2JAK3
SCHEMBL13033597 0.86 TGM2 (0.40) GPR119ADORA2AGBA1JAK2JAK3
SCHEMBL3511515 0.85 ALDH1A1 (0.46) PDK2SMOALDH1A1

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 3 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
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 GPR119 151/4885ADORA2A 2504/4885GBA1 2834/4885

“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.

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