SCHEMBL3512580

SCHEMBL3512580

Cn1c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 7/20 0.54
▸ GPR119 Q8TDV5 2/20 0.52
▸ JAK2 O60674 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ CKS1B P61024 2/20 0.48
▸ SKP1 P63208 2/20 0.48
▸ SKP2 Q13309 2/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ GBA1 P04062 1/20 0.46
▸ VCP P55072 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OGFRL1 Q5TC84 1/20 0.46
▸ PHGDH O43175 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL13033517 0.92 GPR119 (0.52) SMOGPR119CKS1BSKP1SKP2
SCHEMBL13033765 0.91 SMO (0.48) SMOGPR119JAK2JAK3CKS1B
SCHEMBL13033534 0.89 GPR119 (0.50) SMOGPR119JAK2JAK3VCP
SCHEMBL13033531 0.88 SMO (0.55) SMOOPRM1OPRD1HDAC1HDAC8
SCHEMBL13033773 0.88 SMO (0.47) SMOGPR119VCPOPRM1OPRD1
SCHEMBL13033516 0.87 SMO (0.49) SMOGPR119CKS1BSKP1SKP2
SCHEMBL13033521 0.87 SMO (0.49) SMOGPR119CKS1BSKP1SKP2
SCHEMBL13033522 0.87 SMO (0.49) SMOGPR119CKS1BSKP1SKP2
SCHEMBL3510438 0.87 GPR119 (0.48) SMOGPR119JAK2JAK3CKS1B
SCHEMBL13033825 0.86 UCHL1 (0.47) SMOGPR119OPRM1OPRD1OGFRL1

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-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
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 — — 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
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 SMO 3/4885GPR119 151/4885JAK2 134/4885

“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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