SCHEMBL2158630

SCHEMBL2158630

CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 9/20 0.61
▸ ERG P11308 1/20 0.61
▸ PDE10A Q9Y233 1/20 0.49
▸ BACE1 P56817 1/20 0.49
▸ GBA1 P04062 2/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OGFRL1 Q5TC84 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ CKS1B P61024 1/20 0.44
▸ SKP1 P63208 1/20 0.44
▸ SKP2 Q13309 1/20 0.44

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
SCHEMBL1832319 0.84 SMO (0.69) SMOERG
SCHEMBL17100788 0.83 MAPT (0.57) GBA1NPC1LMNAMAPTHTT
SCHEMBL4055019 0.78 PDE10A (0.64) PDE10ABACE1NPC1CKS1BSKP1
SCHEMBL18624608 0.78 MAPT (0.62) NPC1LMNAMAPTHTTHDAC4
SCHEMBL2158144 0.77 SMO (0.67) SMO
SCHEMBL17115031 0.77 MAPT (0.58) NPC1LMNAMAPTHTTHDAC4
SCHEMBL25433114 0.76 MAPT (0.75) NPC1LMNAMAPTHTTHDAC4
SCHEMBL17115024 0.76 MAPT (0.56) NPC1LMNAMAPTHTTHDAC4
SCHEMBL17115026 0.76 HDAC4 (0.51) NPC1LMNAMAPTHTTHDAC4
SCHEMBL18603147 0.75 HDAC4 (0.63) NPC1LMNAMAPTHTTHDAC4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 — — 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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 SMO 2/4885ERG 2205/4885PDE10A 988/4885

“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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