SCHEMBL4403545

SCHEMBL4403545

CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.64
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALOX5 P09917 1/20 0.55
EPHX2 P34913 1/20 0.53
CYP3A4 P08684 1/20 0.52
KMT2A Q03164 4/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 2/20 0.49
KDM4C Q9H3R0 1/20 0.49
ATM Q13315 1/20 0.49
CYP2C9 P11712 1/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL6377029 0.93 NAMPT (0.59) NAMPTLMNANPSR1ALOX5EPHX2
SCHEMBL8259232 0.88 NAMPT (0.54) NAMPTLMNANPSR1EPHX2KMT2A
SCHEMBL24381840 0.88 KMT2A (0.65) NAMPTLMNANPSR1EPHX2KMT2A
SCHEMBL26554467 0.88 NAMPT (0.64) NAMPTLMNANPSR1EPHX2KMT2A
SCHEMBL7470114 0.87 NAMPT (0.63) NAMPTLMNANPSR1EPHX2KMT2A
SCHEMBL25153759 0.86 MAPT (0.64) NAMPTLMNANPSR1EPHX2KMT2A
SCHEMBL4103799 0.84 MEN1 (0.55) NAMPTNPSR1KMT2AMAPTMEN1
SCHEMBL646929 0.83 NAMPT (0.64) NAMPTEPHX2KMT2AMAPTMEN1
SCHEMBL23332834 0.83 NAMPT (0.53) NAMPTLMNAEPHX2KMT2AMEN1
SCHEMBL16825781 0.81 CA12 (0.70) EPHX2MAPTALDH1A1CYP2C9NPC1

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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 NAMPT 3459/4885LMNA 3069/4885NPSR1 871/4885

“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.