SCHEMBL4898713

SCHEMBL4898713

NC1C2CN(C(=O)c3ccc(F)cc3C(F)(F)F)CC12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.57
HCRTR2 O43614 2/20 0.57
P2RX7 Q99572 1/20 0.43
SCD O00767 1/20 0.42
SMO Q99835 8/20 0.42
GPR183 P32249 1/20 0.41
CPS1 P31327 2/20 0.39
SCN9A Q15858 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL4636549 0.83 CPS1 (0.53) CPS1DPP4
SCHEMBL4635407 0.82 CYP2C9 (0.52) SCD
SCHEMBL4635248 0.81 HCRTR1 (0.45) HCRTR1HCRTR2P2RX7CPS1
SCHEMBL30810004 0.80 HCRTR1 (0.56) HCRTR1HCRTR2P2RX7SCDSMO
SCHEMBL4636016 0.78 P2RX7 (0.50) P2RX7
SCHEMBL4635078 0.76 KDM1A (0.48) GPR183SCN9A
SCHEMBL4635545 0.76 EPHX2 (0.45) P2RX7CPS1SCN9A
SCHEMBL4635417 0.76 TAS1R3 (0.44) P2RX7SCN9A
SCHEMBL937498 0.75 GPR183 (0.50) HCRTR1HCRTR2P2RX7SCDSMO
SCHEMBL30691929 0.75 GPR183 (0.50) HCRTR1HCRTR2P2RX7SCDSMO

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 1 patent. 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

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 HCRTR1 1802/4885HCRTR2 1658/4885P2RX7 1288/4885

“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.