SCHEMBL4635114

SCHEMBL4635114

O=C(O)NCC(=O)NC1C2CN(C(=O)c3ccc(F)cc3)CC21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.48
TLR1 Q15399 4/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
PAX8 Q06710 1/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 2/20 0.41
CCR2 P41597 2/20 0.41
EPHX2 P34913 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
SCHEMBL4635443 0.83 TLR2 (0.48) TLR2TLR1NPC1RAB9AATM
SCHEMBL4635445 0.76 TLR2 (0.47) TLR2TLR1NPC1RAB9AATM
SCHEMBL4635408 0.76 MITF (0.54) NPC1RAB9AATMKMT2AMEN1
SCHEMBL4898863 0.73 DPP4 (0.55)
SCHEMBL4635067 0.71 HSD11B1 (0.51) TLR2TLR1NPC1RAB9AATM
SCHEMBL27777255 0.70 HSD11B1 (0.57) TLR2TLR1NPC1RAB9AATM
SCHEMBL4669126 0.69 DPP4 (0.45) TLR2TLR1NPC1RAB9AATM
SCHEMBL30937118 0.69 HSD11B1 (0.56) TLR2TLR1NPC1RAB9AATM
SCHEMBL26255947 0.68 PAX8 (0.57) TLR2TLR1NPC1RAB9AATM
SCHEMBL15973607 0.67 MAPT (0.58) NPC1RAB9AKMT2AMEN1ALDH1A1

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 TLR2 3383/4885TLR1 3085/4885NPC1 1978/4885

“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.