SCHEMBL1825813

SCHEMBL1825813

C1CN(C2CCSC2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 1/20 0.36
CYP2A13 Q16696 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRL1 P41146 2/20 0.33
KDM1A O60341 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL8832328 0.88 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2DPP4CYP2A13HPGD
SCHEMBL16878611 0.77 DPP4 (0.35) ALDH1A1SMN1; SMN2DPP4
SCHEMBL7561952 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGD
SCHEMBL26112782 0.73 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2CYP2A13HPGDL3MBTL3
SCHEMBL26112778 0.73 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2CYP2A13HPGDL3MBTL3
SCHEMBL3168997 0.73
SCHEMBL16877376 0.72
Ammonia Solution, Strong SCHEMBL4295582 0.71 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CYP2A13HPGDL3MBTL3
SCHEMBL14862483 0.71 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CYP2A13HPGDL3MBTL3
SCHEMBL9425142 0.69 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2CYP2A13HPGDL3MBTL3

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 3 patents. 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
EP-2318400-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-11 EP disclosed
WO-2010013037-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-02-04 WO 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 ALDH1A1 663/4885SMN1; SMN2 518/4885DPP4 2659/4885

“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.