SCHEMBL13033517

SCHEMBL13033517

Cn1c(-c2cccc(N3CCN(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)CC3)c2)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.52
▸ SMO Q99835 7/20 0.49
▸ MAPT P10636 3/20 0.45
▸ VCP P55072 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OGFRL1 Q5TC84 1/20 0.44
▸ CKS1B P61024 1/20 0.44
▸ SKP1 P63208 1/20 0.44
▸ SKP2 Q13309 1/20 0.44
▸ TP53 P04637 1/20 0.43

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
SCHEMBL13033765 0.92 SMO (0.48) GPR119SMOVCPOPRM1OPRD1
SCHEMBL3512580 0.92 SMO (0.54) GPR119SMOVCPOPRM1OPRD1
SCHEMBL13033521 0.90 SMO (0.49) GPR119SMOVCPOPRM1OPRD1
SCHEMBL13033522 0.90 SMO (0.49) GPR119SMOVCPOPRM1OPRD1
SCHEMBL13033516 0.90 SMO (0.49) GPR119SMOVCPOPRM1OPRD1
SCHEMBL1283758 0.89 SMO (0.48) GPR119SMOMAPTVCPOPRM1
SCHEMBL1283753 0.89 SMO (0.48) GPR119SMOMAPTVCPOPRM1
SCHEMBL3509645 0.89 GPR119 (0.49) GPR119MAPTVCPOPRM1OPRD1
SCHEMBL3511096 0.88 SMO (0.55) SMOMAPTCKS1BSKP1SKP2
SCHEMBL13033518 0.88 SMO (0.57) SMOMAPTTP53

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 GPR119 151/4885SMO 3/4885MAPT 3104/4885

“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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