SCHEMBL10097289

SCHEMBL10097289

CCOC(=O)Nc1ccc(-c2c(N)c3ccc(OCCCN4CCCCC4)cc3n2CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
KCNH2 Q12809 2/20 0.48
ADRA1A P35348 1/20 0.44
ESR1 P03372 1/20 0.42

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 0.99 HRH3 (0.46) HRH3KCNH2ADRA1AESR1
SCHEMBL10252550 0.93 HRH2 (0.42) HRH3KCNH2
SCHEMBL10097487 0.92 POLB (0.48)
SCHEMBL10097291 0.92 HRH3 (0.40) HRH3KCNH2
SCHEMBL10249321 0.91 MET (0.47) HRH3KCNH2ADRA1A
SCHEMBL10249267 0.90 MET (0.47) HRH3KCNH2
SCHEMBL10095707 0.88 HRH3 (0.46) HRH3KCNH2ADRA1AESR1
SCHEMBL10097413 0.87 NPC1 (0.39)
SCHEMBL10097478 0.87 EPHX2 (0.47) HRH3KCNH2
SCHEMBL10095710 0.87 HRH3 (0.47) HRH3KCNH2ADRA1AESR1

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 976/4885KCNH2 3873/4885ADRA1A 3085/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP HRH3 3196/4885KCNH2 4859/4885ADRA1A 3920/4885

“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.