SCHEMBL4635408

SCHEMBL4635408

O=C(O)NC1C2CN(C(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)CC21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
PTPN1 P18031 3/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 2/20 0.47
ATM Q13315 1/20 0.47
SNCA P37840 1/20 0.46
LMNA P02545 1/20 0.46
PTPN11 Q06124 1/20 0.45

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
SCHEMBL4635124 0.85 PTPN1 (0.54) MITFNPC1RAB9APTPN1KMT2A
SCHEMBL4636553 0.81 GRIN2B (0.56) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4635114 0.76 TLR2 (0.48) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL4635371 0.75 EPHX2 (0.60) NPC1RAB9APTPN1KMT2AMEN1
SCHEMBL10684470 0.74 PTPN1 (0.88) MITFNPC1RAB9APTPN1KMT2A
SCHEMBL4635443 0.74 TLR2 (0.48) NPC1RAB9APTPN1KMT2AMEN1
SCHEMBL4635501 0.71 MITF (1.00) MITFNPC1RAB9APTPN1KMT2A
SCHEMBL3639776 0.71 MITF (1.00) MITFNPC1RAB9APTPN1KMT2A
SCHEMBL4635067 0.70 HSD11B1 (0.51) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL15172216 0.70 PLA2G1B (0.70) NPC1RAB9APTPN1KMT2AMEN1

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 MITF 3102/4885NPC1 1978/4885RAB9A 4093/4885

“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.