SCHEMBL10097291

SCHEMBL10097291

CCOC(=O)Nc1ccc(-c2c(N)c3ccc(OCCCN4CCSCC4)cc3n2CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.40
HRH2 P25021 7/20 0.39
HRH1 P35367 7/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL10097292 0.93 HRH3 (0.46) HRH3KCNH2MAPT
SCHEMBL10097289 0.92 HRH3 (0.48) HRH3KCNH2
SCHEMBL10252550 0.92 HRH2 (0.42) HRH3HRH2HRH1KCNH2EPHX2
SCHEMBL10253105 0.92 MET (0.41) HRH2HRH1EPHX2
SCHEMBL10097487 0.91 POLB (0.48) POLBMAPTEPHX2
SCHEMBL10095708 0.88 HRH2 (0.45) HRH3HRH2HRH1KCNH2POLB
SCHEMBL10097413 0.86 NPC1 (0.39) MAPT
SCHEMBL10097478 0.86 EPHX2 (0.47) HRH3KCNH2MAPTEPHX2
SCHEMBL10249721 0.85 RAB9A (0.40) HRH3HRH2HRH1KCNH2
SCHEMBL10097633 0.84 EPHX2 (0.47) HRH3POLBMAPTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
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 (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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS HRH3 976/4885HRH2 666/4885HRH1 1368/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP HRH3 3196/4885HRH2 2629/4885HRH1 3318/4885

“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.