SCHEMBL8283151

SCHEMBL8283151

O=C(O)C1(Cc2ccccn2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALOX5AP P20292 1/20 0.45
POLB P06746 2/20 0.44
PTPRA P18433 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
RECQL P46063 1/20 0.42
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL31446462 0.92 PTPRA (0.47) GAAPOLBPTPRANPC1RAB9A
SCHEMBL27942394 0.85 SLC6A4 (0.44) GAAPOLBPTPRANPC1RAB9A
SCHEMBL12564742 0.82 GAA (0.46) GAAPOLBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3302174 0.78 POLB (0.58) GAAALOX5APPOLBALDH1A1KDM4E
SCHEMBL28363929 0.78 CYP1A2 (0.45) GAAALOX5APPOLBCYP2C19CYP1A2
SCHEMBL11404028 0.78 CYP2C19 (0.41) ALOX5APALDH1A1KDM4ECYP2C19MEN1
SCHEMBL4964661 0.78 LMNA (0.45) GAAPOLBPTPRANPC1RAB9A
SCHEMBL6585961 0.76 CYP2C19 (0.48) NPC1RAB9AALDH1A1KDM4ECYP2C19
SCHEMBL11373445 0.76 CYP2C19 (0.48) NPC1RAB9AALDH1A1KDM4ECYP2C19
SCHEMBL29024354 0.76 CYP2C19 (0.48) NPC1RAB9AALDH1A1KDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 US disclosed
WO-2005085275-A1 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-09-15 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 (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-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 GAA 128/4885ALOX5AP 2256/4885POLB 3834/4885

“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.