SCHEMBL4635204

SCHEMBL4635204

N#Cc1ccc(N2CC3C(N)C3C2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
PREP P48147 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
TRPV4 Q9HBA0 1/20 0.41
TRPA1 O75762 1/20 0.40
CHRM2 P08172 2/20 0.40
KDM1A O60341 10/20 0.39
AR P10275 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CHRM4 P08173 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
PARP1 P09874 1/20 0.37
TNK2 Q07912 1/20 0.37
TNK1 Q13470 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL4635836 0.82 AR (0.58) DPP4PREPDPP8DPP9DPP7
SCHEMBL4635278 0.81 AR (0.54) DPP4AR
SCHEMBL22210376 0.81 DPP4 (0.45) DPP4PREPDPP8DPP9DPP7
SCHEMBL4894756 0.80 DPP4 (0.45) DPP4PREPDPP8DPP9DPP7
SCHEMBL5217653 0.79 KDM1A (0.53) KDM1AARIDO1TDO2
SCHEMBL30895187 0.76 CYP11B1 (0.51) TRPV4KDM1AARIDO1TDO2
SCHEMBL142269 0.74 CYP11B1 (0.50) TRPV4KDM1AARIDO1TDO2
SCHEMBL15976200 0.74 CYP11B1 (0.50) TRPV4KDM1AARIDO1TDO2
SCHEMBL4635237 0.74 DPP4 (0.47) DPP4DPP8DPP9CHRM4
SCHEMBL22919251 0.74 HRH3 (0.49) DPP4PREPDPP8DPP9DPP7

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 DPP4 1/4885PREP 21/4885DPP8 3/4885

“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.