SCHEMBL4636016

SCHEMBL4636016

NC1C2CN(C(=O)c3cccc(C(F)(F)F)c3F)CC12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.50
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
NOTUM Q6P988 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK14 Q16539 1/20 0.41
AURKA O14965 1/20 0.40
MGLL Q99685 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
SCHEMBL4635407 0.87 CYP2C9 (0.52) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL4636532 0.81 P2RX7 (0.46) P2RX7HPGDMGLL
SCHEMBL4898713 0.78 HCRTR1 (0.57) P2RX7
SCHEMBL4788243 0.77 TSHR (0.53) CYP2C9CYP2C19MAPK14MGLL
SCHEMBL4788064 0.77 TSHR (0.53) CYP2C9CYP2C19MAPK14MGLL
SCHEMBL28305320 0.76 P2RX7 (0.56) P2RX7HPGDCYP2C9CYP2C19HTR2B
SCHEMBL4636613 0.76 CES2 (0.46) HPGD
SCHEMBL3528330 0.75 P2RX7 (0.55) P2RX7HPGDCYP2C9CYP2C19HTR2B
Hydrochloric Acid SCHEMBL3529996 0.74 P2RX7 (0.54) P2RX7HPGDCYP2C9CYP2C19HTR2B
SCHEMBL4635417 0.73 TAS1R3 (0.44) P2RX7TAS1R3TAS1R1TAS1R2NOTUM

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 P2RX7 1288/4885TAS1R3 2419/4885TAS1R1 2711/4885

“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.