SCHEMBL10095405

SCHEMBL10095405

CCC(=O)Nc1cccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
RORC P51449 3/20 0.43
MTNR1B P49286 4/20 0.42
MTNR1A P48039 3/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 4/20 0.42
PFKFB2 O60825 1/20 0.41
NSD2 O96028 1/20 0.41
PFKFB1 P16118 1/20 0.41
PFKFB3 Q16875 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
AS3MT Q9HBK9 1/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL10095423 0.93 MCHR1 (0.46) MCHR1RORCMTNR1BMTNR1AKDM4E
SCHEMBL10095427 0.92 MCHR1 (0.43) MCHR1RORCMTNR1BMTNR1AKDM4E
SCHEMBL10095322 0.90 PFKFB2 (0.47) RORCMTNR1BMTNR1AKDM4EMAPT
SCHEMBL10095416 0.90 HCRTR1 (0.43) MCHR1MTNR1BMTNR1AKDM4EMAPT
SCHEMBL979640 0.90 MTNR1B (0.44) MCHR1RORCMTNR1BKDM4EMAPT
SCHEMBL10095408 0.90 MCHR1 (0.42) MCHR1RORCKDM4EMAPTPFKFB2
SCHEMBL10095428 0.90 ALDH1A1 (0.43) MCHR1RORCMTNR1BKDM4EMAPT
SCHEMBL13151704 0.87 MTNR1B (0.43) MCHR1MTNR1BMTNR1AKDM4EMAPT
SCHEMBL10095429 0.87 HCRTR1 (0.44) MCHR1MTNR1BMTNR1AKDM4EMAPT
SCHEMBL10095441 0.87 MAPT (0.44) MCHR1RORCKDM4EMAPTHPGD

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 8 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-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
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (3 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 MCHR1 998/4885RORC 745/4885MTNR1B 269/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MCHR1 3689/4885RORC 942/4885MTNR1B 489/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MCHR1 4316/4885RORC 1564/4885MTNR1B 827/4885

“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.