SCHEMBL13033765

SCHEMBL13033765

Cn1c(-c2cccc(N3CCN(C(=O)C4CN(C(=O)OC(C)(C)C)C4)CC3)c2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 8/20 0.48
▸ GPR119 Q8TDV5 2/20 0.46
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OGFRL1 Q5TC84 2/20 0.43
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ VCP P55072 1/20 0.42
▸ GBA1 P04062 1/20 0.42
▸ OPRK1 P41145 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ ADORA2A P29274 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
SCHEMBL13033521 0.93 SMO (0.49) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL13033522 0.93 SMO (0.49) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL13033516 0.93 SMO (0.49) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL13033517 0.92 GPR119 (0.52) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL3512580 0.91 SMO (0.54) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL1283753 0.88 SMO (0.48) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL1283758 0.88 SMO (0.48) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL13033703 0.87 SMO (0.46) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL13033525 0.87 SMO (0.46) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL13033773 0.86 SMO (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 151/4885OPRM1 1662/4885

“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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