SCHEMBL13033522

SCHEMBL13033522

Cn1c(-c2cccc(N3CCN(C(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)C4)CC3)c2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 9/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OGFRL1 Q5TC84 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ VCP P55072 2/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPK10 P53779 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 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
SCHEMBL13033516 1.00 SMO (0.49) SMOSMN1; SMN2GPR119OPRM1OPRD1
SCHEMBL13033521 1.00 SMO (0.49) SMOSMN1; SMN2GPR119OPRM1OPRD1
SCHEMBL1283758 0.93 SMO (0.48) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL1283753 0.93 SMO (0.48) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL13033765 0.93 SMO (0.48) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL13033517 0.90 GPR119 (0.52) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL13033594 0.89 POLB (0.42) SMN1; SMN2GPR119OPRM1OPRD1OGFRL1
SCHEMBL3512580 0.87 SMO (0.54) SMOGPR119OPRM1OPRD1OGFRL1
SCHEMBL13033820 0.86 UCHL1 (0.47) SMOGPR119OPRM1OPRD1OGFRL1
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 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 3/4885SMN1; SMN2 2687/4885GPR119 151/4885

“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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