SCHEMBL10249337

SCHEMBL10249337

CCOC(=O)Nc1cccc(-c2c(N)c3ccc(OCCCN4CCN(C)CC4)cc3n2CC)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
MET P08581 3/20 0.41
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
DRD3 P35462 2/20 0.40
DRD2 P14416 1/20 0.40
ADRA1A P35348 1/20 0.40
TLR9 Q9NR96 1/20 0.40
AVPR1B P47901 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NR1I3 Q14994 1/20 0.39

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
SCHEMBL10249267 0.94 MET (0.47) METTLR9HRH3
SCHEMBL10249321 0.94 MET (0.47) METADRA1ATLR9HRH3
SCHEMBL10253105 0.92 MET (0.41) EPHX2METHRH2HRH1HTR1A
SCHEMBL10252435 0.92 EPHX2 (0.49) EPHX2
SCHEMBL10252550 0.91 HRH2 (0.42) EPHX2HRH2HRH1HRH3
SCHEMBL10095701 0.89 HRH2 (0.46) EPHX2METHRH2HRH1HTR1A
SCHEMBL10097322 0.88 CDC7 (0.46) EPHX2NR1I3
SCHEMBL12334327 0.88 SMN1; SMN2 (0.40) NPC1RAB9A
SCHEMBL10097681 0.88 EPHX2 (0.49) EPHX2
SCHEMBL10097445 0.88 EPHX2 (0.49) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS EPHX2 1777/4885MET 1782/4885HRH2 666/4885

“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.