SCHEMBL8283152

SCHEMBL8283152

O=C(O)C1(Cc2cccnc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.50
GPR132 Q9UNW8 1/20 0.46
TBXAS1 P24557 9/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX5AP P20292 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
RECQL P46063 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
FES P07332 1/20 0.41
RET P07949 1/20 0.41
MARK3 P27448 1/20 0.41
TYK2 P29597 1/20 0.41
FLT4 P35916 1/20 0.41
SYK P43405 1/20 0.41
CLK2 P49760 1/20 0.41

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
SCHEMBL31125455 0.92 NAPRT (0.54) NAPRTTBXAS1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL21827080 0.92 NAPRT (0.54) NAPRTTBXAS1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL27953256 0.85 NAPRT (0.47) NAPRTTBXAS1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL14074875 0.83 MAPT (0.47) NAPRTGPR132KDM4EL3MBTL1RECQL
SCHEMBL11373445 0.82 CYP2C19 (0.48) KDM4EPPARGPPARA
SCHEMBL6585961 0.82 CYP2C19 (0.48) KDM4EPPARGPPARA
SCHEMBL29024354 0.82 CYP2C19 (0.48) KDM4EPPARGPPARA
SCHEMBL8283757 0.81 ALDH1A1 (0.50) TBXAS1KDM4EPPARGPPARA
SCHEMBL5818358 0.80 AKR1C1 (0.47) KDM4E
SCHEMBL19182688 0.79 CYP2C19 (0.46) SMN1; SMN2L3MBTL1PPARGPPARACYP2C9

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 NAPRT 3488/4885GPR132 3646/4885TBXAS1 2903/4885

“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.