SCHEMBL4897296

SCHEMBL4897296

NC1C2CN(C(=O)Nc3ccc(Cl)cc3)CC12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
ALOX5 P09917 1/20 0.54
LMNA P02545 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CA12 O43570 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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 0.89 LMNA (0.56) TAS1R3TAS1R1TAS1R2ALOX5LMNA
SCHEMBL4084382 0.84 KMT2A (0.58) NPC1RAB9AMAPTSMN1; SMN2CA12
SCHEMBL4892280 0.81 NAMPT (0.58) LMNAMAPTCA12CA2CA9
SCHEMBL4788456 0.81 NAMPT (0.58) LMNAMAPTSMN1; SMN2KMT2ATRPV1
SCHEMBL3811686 0.78 ALOX5 (0.69) TAS1R3TAS1R1TAS1R2ALOX5LMNA
SCHEMBL1573945 0.77 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2ALOX5LMNA
SCHEMBL1575415 0.76 CCR2 (0.57) TAS1R3TAS1R1TAS1R2ALOX5LMNA
SCHEMBL4635518 0.76 HSD17B10 (0.52) MAPTCA12CA2CA9MEN1
SCHEMBL10596224 0.75 MAPT (0.69) ALOX5LMNANPC1RAB9ATDP1
SCHEMBL1574534 0.75 TP53 (0.57) TAS1R3TAS1R1TAS1R2ALOX5LMNA

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 TAS1R3 2419/4885TAS1R1 2711/4885TAS1R2 2549/4885

“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.