SCHEMBL8283763

SCHEMBL8283763

O=C=NC1(Cc2ccccc2)CCC(F)(F)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL4629963 0.77 OPRM1 (0.51) OPRM1OPRK1OPRL1
SCHEMBL3623379 0.68 MAOA (0.41) MAOAMAOBLMNAHTT
SCHEMBL11492101 0.68 MAOA (0.46) MAOAMAOBHTTOPRM1OPRK1
SCHEMBL5002682 0.68 CYP19A1 (0.39) L3MBTL1
SCHEMBL4642673 0.67 MAOA (0.48) MAOAMAOBELANELMNAHTT
SCHEMBL11627631 0.67 MAOB (0.48) MAOAMAOBLMNAHTTNPSR1
SCHEMBL8285022 0.67 CHRNB2 (0.39) HTTOPRM1OPRL1
SCHEMBL11115218 0.67 CYP3A4 (0.49)
SCHEMBL10890773 0.67 MAOA (0.41) MAOAMAOBLMNAHTTNPSR1
SCHEMBL11111095 0.66 CHRNA7 (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 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 MAOA 2127/4885MAOB 1953/4885ELANE 140/4885

“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.