SCHEMBL2806500

SCHEMBL2806500

CN1CCN(c2ncc3c(n2)CN(C(=O)O)C3)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.52
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
HSP90AB1 P08238 7/20 0.46
HTR3A P46098 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OGA O60502 1/20 0.42

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
SCHEMBL2806421 0.89 HSP90AA1 (0.49) HSP90AA1MAPTPOLBHSP90AB1ALDH1A1
SCHEMBL2809323 0.85 HSP90AA1 (0.52) HSP90AA1MAPTPOLBHSP90AB1ALDH1A1
SCHEMBL2806325 0.82 MAPT (0.69) HSP90AA1MAPTTP53LMNAPOLB
SCHEMBL8203169 0.77 KDM4E (0.48) MAPTTP53HTR3AHRH4USP2
SCHEMBL8203715 0.75 HTR3A (0.48) HSP90AA1HTR3AHRH4ALDH1A1
SCHEMBL24920528 0.75 LMNA (0.61) HSP90AA1MAPTTP53LMNAPOLB
SCHEMBL28516998 0.75 MAPT (0.52) HSP90AA1MAPTTP53LMNAPOLB
SCHEMBL30405241 0.75 MAPT (0.52) HSP90AA1MAPTTP53LMNAPOLB
SCHEMBL17624369 0.74 LMNA (0.47) HSP90AA1MAPTTP53LMNAPOLB
SCHEMBL8207690 0.74 HSP90AA1 (0.43) HSP90AA1POLBHSP90AB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
CN-101663284-A Macrocyclic compounds as hcv ns3 protease inhibitors NOVARTIS AG 2010-03-03 CN disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 HSP90AA1 2838/4885MAPT 4041/4885TP53 332/4885

“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.