SCHEMBL10256100

SCHEMBL10256100

CCNC(=O)NCCOc1ccc(-c2c(N)c3ccc(OC)cc3n2CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.41
GRIK1 P39086 1/20 0.41
MTNR1A P48039 8/20 0.41
MTNR1B P49286 6/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP3 P08254 1/20 0.38
DYRK1A Q13627 2/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL13152230 0.90 MTNR1A (0.53) GRIK2GRIK1MTNR1AMTNR1BKDM4E
SCHEMBL980098 0.86 MMP3 (0.45) GRIK2GRIK1MTNR1AMTNR1BLMNA
SCHEMBL13152059 0.83 GRIK2 (0.49) GRIK2GRIK1LMNAKDM4EALDH1A1
SCHEMBL10252464 0.83 GRIK2 (0.43) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152383 0.83 GRIK2 (0.45) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152225 0.82 ALDH1A1 (0.43) GRIK2GRIK1MTNR1AKDM4EALDH1A1
SCHEMBL10249866 0.82 GRIK2 (0.42) GRIK2GRIK1MTNR1AMTNR1BLMNA
SCHEMBL13152185 0.81 GRIK2 (0.49) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152064 0.81 GRIK2 (0.49) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL10097553 0.81 MTNR1B (0.40) MTNR1BMAPK1NPC1

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 3 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
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 GRIK2 4399/4885GRIK1 4352/4885MTNR1A 555/4885

“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.