SCHEMBL10096396

SCHEMBL10096396

CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
EPHX2 P34913 12/20 0.46
KDR P35968 3/20 0.43
PDGFRB P09619 1/20 0.42
RAF1 P04049 1/20 0.42
MAP2K1 Q02750 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
SCHEMBL10096409 0.94 HRH3 (0.46) HRH3HRH2HRH1EPHX2KDR
SCHEMBL10095712 0.94 POLB (0.46) HRH3HRH2HRH1EPHX2KDR
SCHEMBL10096398 0.93 HRH2 (0.44) HRH3HRH2HRH1EPHX2KDR
SCHEMBL10096407 0.93 EPHX2 (0.45) HRH3HRH2HRH1EPHX2KDR
SCHEMBL10096401 0.92 EPHX2 (0.49) HRH3HRH2HRH1EPHX2KDR
SCHEMBL10096408 0.91 EPHX2 (0.49) HRH3HRH2HRH1EPHX2KDR
SCHEMBL10096411 0.88 EPHX2 (0.47) HRH3HRH2HRH1EPHX2KDR
SCHEMBL10096413 0.88 EPHX2 (0.46) HRH3HRH2HRH1EPHX2KDR
SCHEMBL10097527 0.88 EPHX2 (0.48) HRH3EPHX2KDR
SCHEMBL10095710 0.87 HRH3 (0.47) HRH3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US 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 (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS HRH3 1844/4885HRH2 678/4885HRH1 1652/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885HRH2 1760/4885HRH1 2713/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885HRH2 1760/4885HRH1 2713/4885
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.