SCHEMBL4983069

SCHEMBL4983069

COC(=O)C1CC(Oc2ccnc3cc(Cl)ccc23)CN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.47
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
IDE P14735 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
IDO1 P14902 2/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CLK1 P49759 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL8348548 1.00 P2RX3 (0.47) P2RX3LMNASMN1; SMN2MAPTMAPK1
SCHEMBL16380543 1.00 P2RX3 (0.47) P2RX3LMNASMN1; SMN2MAPTMAPK1
SCHEMBL4983074 1.00 P2RX3 (0.47) P2RX3LMNASMN1; SMN2MAPTMAPK1
SCHEMBL12336663 0.92 LMNA (0.47) LMNASMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL8349730 0.91 LMNA (0.45) P2RX3LMNASMN1; SMN2MAPTMAPK1
SCHEMBL4977481 0.91 LMNA (0.45) P2RX3LMNASMN1; SMN2MAPTMAPK1
SCHEMBL4977475 0.91 LMNA (0.45) P2RX3LMNASMN1; SMN2MAPTMAPK1
SCHEMBL16254602 0.89 P2RX3 (0.43) P2RX3IDO1CYP3A4KDM4ECCNT1
SCHEMBL12035225 0.89 P2RX3 (0.43) P2RX3IDO1CYP3A4KDM4ECCNT1
SCHEMBL1943053 0.89 P2RX3 (0.43) P2RX3IDO1CYP3A4KDM4ECCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505945-B1 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-11-05 EP disclosed
EP-1505945-A4 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 US disclosed
EP-1505945-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2005-02-16 EP disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 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-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP P2RX3 2164/4885LMNA 3287/4885SMN1; SMN2 4827/4885

“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.