SCHEMBL3987652

SCHEMBL3987652

CC(=O)c1ccc(CCC(=O)C2CCCC2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.38
CNR2 P34972 2/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GCK P35557 1/20 0.36
PYGL P06737 1/20 0.35
CNR1 P21554 1/20 0.35
HSD11B1 P28845 1/20 0.35
CCR2 P41597 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5880935 0.84 PYGL (0.49) NPC1PYGLKCNH2CYP2C19
SCHEMBL3987933 0.82 CA2 (0.47) CCR5PYGLKMT2A
SCHEMBL3987889 0.80 OPRD1 (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3988021 0.80 CSNK2A1 (0.50) CCR5KDM4EMEN1KMT2A
SCHEMBL1581377 0.79 ADRA1D (0.40) CCR5RAB9AGCKKCNH2MEN1
SCHEMBL3988482 0.74 HPGD (0.48) NPC1RAB9AMEN1KMT2A
SCHEMBL3985175 0.74 PDE4A (0.42) RAB9AMEN1KMT2AALDH1A1
SCHEMBL5880787 0.74 EPHX2 (0.52) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL3984957 0.74 PTGDR (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20804110 0.74 CCR5 (0.38) CCR5CNR2NPC1RAB9ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (2 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 CCR5 880/4885CNR2 3113/4885NPC1 110/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 CCR5 880/4885CNR2 3113/4885NPC1 110/4885

“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.