SCHEMBL4895486

SCHEMBL4895486

CC(=O)c1ccc(N2CC3C(N)C3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
DPP4 P27487 1/20 0.43
PREP P48147 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
ATM Q13315 1/20 0.42
ADAM17 P78536 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KCNJ1 P48048 1/20 0.40
POLB P06746 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
SCHEMBL4635452 0.84 CHRNA7 (0.45) KMT2AMAPTALDH1A1MEN1DPP4
SCHEMBL4636690 0.82 DPP4 (0.47) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL4635076 0.79 HSD11B1 (0.46) NPC1KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL23388537 0.79 NPC1 (0.54) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL4635913 0.79 HTT (0.54) RAB9AKMT2AALDH1A1MEN1DPP4
SCHEMBL4635410 0.76 SMYD3 (0.64) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL13069950 0.76 MAPT (0.54) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL1482480 0.76 NPC1 (0.51) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL24115187 0.76 NPC1 (0.51) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL3773829 0.76 MAPT (0.57) NPC1RAB9AKMT2AMAPTALDH1A1

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 NPC1 1978/4885RAB9A 4093/4885KMT2A 1521/4885

“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.