SCHEMBL13033773

SCHEMBL13033773

Cn1c(-c2cccc(N3CCN(C(=O)[C@@H]4CCN4C(=O)OC(C)(C)C)CC3)c2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 8/20 0.47
▸ GPR119 Q8TDV5 2/20 0.44
▸ UCHL1 P09936 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ VCP P55072 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OGFRL1 Q5TC84 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PHGDH O43175 1/20 0.39

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
SCHEMBL13033775 0.97 SMO (0.46) SMOGPR119UCHL1NR1H2NR1H3
SCHEMBL13033820 0.95 UCHL1 (0.47) SMOGPR119UCHL1OPRM1OPRD1
SCHEMBL13033825 0.95 UCHL1 (0.47) SMOGPR119UCHL1OPRM1OPRD1
SCHEMBL13033738 0.94 SMO (0.47) SMOGPR119UCHL1OPRM1OPRD1
SCHEMBL13033726 0.94 SMO (0.47) SMOGPR119UCHL1OPRM1OPRD1
SCHEMBL13033822 0.93 SMO (0.46) SMOGPR119UCHL1VCP
SCHEMBL13033827 0.93 SMO (0.46) SMOGPR119UCHL1VCP
SCHEMBL13033740 0.92 SMO (0.47) SMOGPR119UCHL1VCPOPRM1
SCHEMBL13033728 0.92 SMO (0.47) SMOGPR119UCHL1VCPOPRM1
SCHEMBL3511102 0.90 SMO (0.48) SMOGPR119NR1H2NR1H3VCP

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 151/4885UCHL1 4282/4885

“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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