SCHEMBL4635404

SCHEMBL4635404

NC1C2CN(C(=O)c3cccc(F)c3)CC12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HSD11B1 P28845 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MGLL Q99685 1/20 0.49
PARP1 P09874 1/20 0.49

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
SCHEMBL4635202 0.82 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL4635067 0.81 HSD11B1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4635509 0.80 KMT2A (0.55) HSD11B1ALDH1A1HPGDMAPK1LMNA
SCHEMBL4635455 0.80 LMNA (0.57) ALDH1A1LMNAHTT
SCHEMBL5392821 0.79 SMN1; SMN2 (0.60) PLA2G7SMN1; SMN2CA12CA1CA2
SCHEMBL20804546 0.79 SMN1; SMN2 (0.90) PLA2G7SMN1; SMN2CA12CA1CA2
SCHEMBL4635911 0.78 L3MBTL1 (0.59) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL4618193 0.78 SMN1; SMN2 (0.66) PLA2G7SMN1; SMN2CA12CA1CA2
SCHEMBL4635554 0.77 HPGD (0.44) HSD11B1HPGDMGLL
SCHEMBL4635777 0.77 KMT2A (0.44) SMN1; SMN2HSD11B1ALDH1A1HPGDHTT

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 PLA2G7 1540/4885SMN1; SMN2 4580/4885CA12 313/4885

“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.