SCHEMBL4892280

SCHEMBL4892280

N#Cc1ccc(NC(=O)N2CC3C(N)C3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.58
GRIN2B Q13224 2/20 0.51
PANK3 Q9H999 1/20 0.48
CCR2 P41597 1/20 0.47
FAAH O00519 1/20 0.47
EPHX1 P07099 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NLRP3 Q96P20 1/20 0.44
EPHX2 P34913 1/20 0.44
GOT1 P17174 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL4635072 0.94 LMNA (0.56) NAMPTGRIN2BPANK3CCR2FAAH
SCHEMBL4084382 0.81 KMT2A (0.58) GRIN2BMAPTCA12CA1CA2
SCHEMBL4897296 0.81 TAS1R3 (0.55) LMNAMAPTCA12CA1CA2
SCHEMBL6742058 0.78 NAMPT (0.56) NAMPTGRIN2BPANK3CCR2FAAH
SCHEMBL4635549 0.78 ALDH1A1 (0.64) EPHX2CA1CA2
SCHEMBL28363514 0.77 NAMPT (0.66) NAMPTPANK3CCR2FAAHEPHX2
SCHEMBL4788456 0.77 NAMPT (0.58) NAMPTCCR2FAAHLMNAMAPT
SCHEMBL6739530 0.77 NAMPT (0.54) NAMPTGRIN2BPANK3CCR2FAAH
SCHEMBL14808591 0.76 NAMPT (0.64) NAMPTPANK3CCR2FAAHEPHX2
SCHEMBL654242 0.75 POLB (0.65) NAMPTPANK3CCR2FAAHLMNA

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 NAMPT 3253/4885GRIN2B 1589/4885PANK3 1369/4885

“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.