SCHEMBL4898070

SCHEMBL4898070

N#Cc1cc(F)cc(N2CC3C(N)C3C2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

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
TRPA1 O75762 1/20 0.39
FADS1 O60427 1/20 0.38
GRM5 P41594 6/20 0.37
CHRM4 P08173 3/20 0.36
CHRM2 P08172 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL22209897 0.81 DPP4 (0.44) DPP4PREPDPP8DPP9DPP7
SCHEMBL5219506 0.78 SSTR2 (0.44) DPP4PREPDPP8DPP9DPP7
SCHEMBL4894756 0.78 DPP4 (0.45) DPP4PREPDPP8DPP9DPP7
SCHEMBL12483657 0.77 FADS1 (0.45) DPP4PREPDPP8DPP9DPP7
SCHEMBL22919251 0.75 HRH3 (0.49) DPP4PREPDPP8DPP9DPP7
SCHEMBL4895815 0.75 HRH3 (0.49) DPP4PREPDPP8DPP9DPP7
SCHEMBL5222222 0.73 BPTF (0.59) DPP4PREPDPP8DPP9DPP7
SCHEMBL18825904 0.72 DRD2 (0.58) GRM5CHRM4CHRM2KDM4ETP53
SCHEMBL18825950 0.72 FADS1 (0.41) DPP4PREPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL7236978 0.71 DRD2 (0.57) GRM5CHRM4CHRM2KDM4ETP53

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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2008-12-04 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-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.