SCHEMBL3990107

SCHEMBL3990107

CCNC(=O)c1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.34
HTR2A P28223 1/20 0.34
PARP1 P09874 2/20 0.33
TNK1 Q13470 1/20 0.33
DRD2 P14416 1/20 0.32
ESRRG P62508 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ACP1 P24666 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
IP6K1 Q92551 1/20 0.31
CA2 P00918 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A4 P31645 1/20 0.30
CRBN Q96SW2 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3993680 0.91 OPRD1 (0.33) PARP1TNK1ALDH1A1HDAC6CRBN
SCHEMBL5880805 0.88 MAOB (0.34) ALDH1A1
SCHEMBL4477522 0.88 RXRA (0.33) ALDH1A1
SCHEMBL4480490 0.87 FFAR4 (0.32) PARP1ALDH1A1LMNA
SCHEMBL3993936 0.85
SCHEMBL5880939 0.82 ALDH1A1 (0.35) ALDH1A1HTTSLC6A4CNR1CNR2
SCHEMBL3985048 0.81 NUDT1 (0.35) ALDH1A1
SCHEMBL3992159 0.81 MAPK14 (0.34) ALDH1A1NPC1HTTHDAC6CA2
SCHEMBL3993330 0.81
SCHEMBL13939583 0.79 PTGS1 (0.34)

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 MCHR1 2813/4885HTR2A 4793/4885PARP1 681/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 MCHR1 2813/4885HTR2A 4793/4885PARP1 681/4885

“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.