SCHEMBL3985186

SCHEMBL3985186

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3ccc(-n4c(C)ccc4C)cc3)C(=O)O2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
OPRD1 P41143 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 5/20 0.32
PDE5A O76074 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD1 P21728 2/20 0.32
DRD5 P21918 2/20 0.32
GAA P10253 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL3987706 0.89 EDNRA (0.36) OPRD1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3988630 0.87 HCRTR1 (0.40)
SCHEMBL3988698 0.86 HCRTR1 (0.35) LMNAOPRD1PDE5A
SCHEMBL3985261 0.86 PDE5A (0.36) ALDH1A1PDE5AGAAMEN1KMT2A
SCHEMBL3987544 0.86 PTGS2 (0.39) LMNAALDH1A1GAAKMT2A
SCHEMBL3987826 0.83 PDE5A (0.33) PDE1APDE1BPDE1COPRD1PDE5A
SCHEMBL3990250 0.83 DRD4 (0.38) ALDH1A1PDE5A
SCHEMBL3988700 0.83 OPRD1 (0.36) LMNATP53OPRD1ALDH1A1PDE5A
SCHEMBL3985430 0.83 PDE1A (0.34) PDE1APDE1BPDE1CCNR1CNR2
SCHEMBL13939479 0.83 KMT2A (0.39) TP53ALDH1A1GAAKMT2A

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 PDE1A 4555/4885PDE1B 4742/4885PDE1C 4540/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 PDE1A 4555/4885PDE1B 4742/4885PDE1C 4540/4885

“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.