SCHEMBL3988698

SCHEMBL3988698

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3ccc(-n4cncn4)cc3)C(=O)O2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PDE2A O00408 1/20 0.33
TACR1 P25103 1/20 0.33
CYP11B2 P19099 1/20 0.33
CTSD P07339 1/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
RORC P51449 1/20 0.32
PDE5A O76074 1/20 0.32
OPRD1 P41143 1/20 0.32
PTGER1 P34995 1/20 0.32
EP300 Q09472 1/20 0.31
GLP1R P43220 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 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
SCHEMBL3988630 0.89 HCRTR1 (0.40) HCRTR1HCRTR2RORC
SCHEMBL3985186 0.86 PDE1A (0.34) PDE5AOPRD1LMNA
SCHEMBL3987706 0.85 EDNRA (0.36) OPRD1
SCHEMBL3985261 0.83 PDE5A (0.36) PDE2APDE5A
SCHEMBL3987544 0.83 PTGS2 (0.39) HCRTR1HCRTR2MAPK1LMNA
SCHEMBL3987826 0.81 PDE5A (0.33) PDE5AOPRD1RAB9A
SCHEMBL3985430 0.81 PDE1A (0.34) BRD4CREBBPPDE5AOPRD1EP300
SCHEMBL3991077 0.80 PTPN1 (0.36) CTSDPDE5AEP300LMNA
SCHEMBL3990250 0.80 DRD4 (0.38) PDE2APDE5A
SCHEMBL13939539 0.79 EP300 (0.33) HCRTR1HCRTR2PDE2ABRD4CREBBP

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 HCRTR1 2576/4885HCRTR2 4142/4885PDE2A 1951/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 HCRTR1 2576/4885HCRTR2 4142/4885PDE2A 1951/4885

“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.