SCHEMBL2158154

SCHEMBL2158154

Cn1c(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.67
ERG P11308 1/20 0.64
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
CCR5 P51681 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
SCHEMBL1830874 0.86 SMO (0.74) SMOERG
SCHEMBL1653518 0.82 TUBB4A (0.60) GAATHRBSMN1; SMN2GPR119
SCHEMBL8146112 0.81 HCRTR1 (0.50) SMOGAATHRBSMN1; SMN2GPR119
SCHEMBL29891783 0.81 HCRTR1 (0.50) SMOGAATHRBSMN1; SMN2GPR119
SCHEMBL2901393 0.80 TUBB4A (0.58) GAATHRBSMN1; SMN2GPR119
SCHEMBL3779989 0.80 HTR2B (0.61) GAATHRBSMN1; SMN2GPR119OPRM1
SCHEMBL1831382 0.79 PDE10A (0.53) SMOGAATHRBSMN1; SMN2GPR119
SCHEMBL4423384 0.79 GPR119 (0.59) SMN1; SMN2GPR119
SCHEMBL12580552 0.79 ALDH1A1 (0.63) SMOERGGAATHRBSMN1; SMN2
SCHEMBL12580530 0.79 EPHX2 (0.64) SMOGAASMN1; SMN2GPR119

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 2205/4885GAA 4330/4885

“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.