SCHEMBL1828031

SCHEMBL1828031

CCCc1cccc2[nH][c]nc12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
ADRA2A P08913 2/20 0.31
GRM5 P41594 1/20 0.31
HTR1A P08908 1/20 0.30
NISCH Q9Y2I1 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
SCHEMBL7060893 0.90 LIPG (0.33)
SCHEMBL2526583 0.89 LIPG (0.39)
SCHEMBL1379817 0.86 GABRA1 (0.38) DAOHTR1A
SCHEMBL4737660 0.79
SCHEMBL638188 0.79 MEN1 (0.37)
SCHEMBL7213697 0.79
SCHEMBL7616893 0.78 GABRA1 (0.43)
SCHEMBL10767160 0.77 HIF1A (0.34) HTR1A
SCHEMBL8474445 0.76
SCHEMBL1079894 0.75 GABRA1 (0.40) ADRA2BADRA2CADRA2AHTR1ANISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2756007-A1 PROCESS FOR ALKANE OLIGOMERIZATION Rutgers, the State University of New Jersey (US) 2014-07-23 EP claimed
WO-2013040262-A1 PROCESS FOR ALKANE OLIGOMERIZATION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-03-21 WO claimed
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
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 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 DAO 4509/4885ADRA2B 2159/4885ADRA2C 2024/4885

“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.