SCHEMBL4635351

SCHEMBL4635351

NC1C2CN(c3nccc4ccccc34)CC12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.55
HTR2C P28335 1/20 0.55
SORD Q00796 2/20 0.46
DPP4 P27487 2/20 0.43
F12 P00748 1/20 0.43
PLAU P00749 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
ACACB O00763 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
HCAR2 Q8TDS4 1/20 0.40
AXL P30530 1/20 0.40
COMT P21964 1/20 0.40

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
SCHEMBL4015416 0.78 HRH4 (0.63) HRH4HTR2CSORDDPP4DPP7
SCHEMBL30275021 0.75 HRH4 (0.73) HRH4HTR2CSORDHCAR2
SCHEMBL29003692 0.75 HRH4 (0.73) HRH4HTR2CSORDHCAR2
SCHEMBL4766806 0.73 HRH4 (0.71) HRH4HTR2CSORDHCAR2
SCHEMBL30614541 0.73 HRH4 (0.56) HRH4HTR2CSORDDPP4DPP7
SCHEMBL237050 0.73 HTR2C (0.64) HRH4HTR2CSORD
SCHEMBL17844939 0.73 HRH4 (0.59) HRH4HTR2CSORDDPP4DPP7
SCHEMBL17844941 0.73 HRH4 (0.59) HRH4HTR2CSORDDPP4DPP7
SCHEMBL30606276 0.73 HRH4 (0.52) HRH4HTR2CSORDDPP4F12
SCHEMBL17861370 0.73 HRH4 (0.59) HRH4HTR2CSORDDPP4DPP7

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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2008-12-04 US disclosed
EP-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP8 HRH4 860/4885HTR2C 2181/4885SORD 3197/4885

“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.