SCHEMBL4635443

SCHEMBL4635443

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.48
TLR1 Q15399 3/20 0.48
PAX8 Q06710 1/20 0.44
HSD11B1 P28845 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
EPHX2 P34913 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 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

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
SCHEMBL4635114 0.83 TLR2 (0.48) TLR2TLR1PAX8HSD11B1EPHX2
SCHEMBL4635445 0.80 TLR2 (0.47) TLR2TLR1PAX8HSD11B1CA12
SCHEMBL4635067 0.77 HSD11B1 (0.51) TLR2TLR1PAX8HSD11B1CA12
SCHEMBL4635408 0.74 MITF (0.54) EPHX2NPC1RAB9AATMKMT2A
Hydrochloric Acid SCHEMBL3955678 0.72 DPP4 (0.41) POLBKDM4EALDH1A1L3MBTL1
SCHEMBL30937118 0.72 HSD11B1 (0.56) TLR2TLR1PAX8HSD11B1CA12
SCHEMBL4635371 0.71 EPHX2 (0.60) TLR2TLR1PAX8HSD11B1CA12
SCHEMBL26255947 0.71 PAX8 (0.57) TLR2TLR1PAX8HSD11B1CA12
SCHEMBL4635124 0.70 PTPN1 (0.54) EPHX2NPC1RAB9AATMKMT2A
SCHEMBL3755574 0.70 POLB (0.66) HSD11B1CA12CA1CA2CA7

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 3085/4885PAX8 610/4885

“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.