SCHEMBL14730802

SCHEMBL14730802

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(CCF)C4)cc23)C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
PRMT1 Q99873 4/20 0.40
CARM1 Q86X55 3/20 0.40
UTS2R Q9UKP6 3/20 0.40
RAB9A P51151 1/20 0.39
SUV39H1 O43463 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL14730726 0.85 RAB9A (0.45) TLR9TLR8TLR7RAB9A
SCHEMBL14730838 0.83 RAB9A (0.42) TLR9TLR8TLR7RAB9A
SCHEMBL14730721 0.81 USP30 (0.49)
SCHEMBL14730766 0.81 RAB9A (0.47) TLR9TLR8TLR7RAB9A
SCHEMBL14730768 0.81 RAB9A (0.50) TLR9TLR8TLR7RAB9A
SCHEMBL14730798 0.80 RAB9A (0.44) TLR9TLR8TLR7RAB9A
SCHEMBL14730799 0.80 SMYD3 (0.55) TLR9TLR8TLR7RAB9A
SCHEMBL14730847 0.80 SMYD3 (0.55) TLR9TLR8TLR7RAB9A
SCHEMBL14730796 0.80 KDR (0.46) TLR8TLR7PRMT1RAB9ASUV39H1
SCHEMBL14730722 0.80 KDR (0.46) TLR8TLR7PRMT1RAB9ASUV39H1

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-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 TLR9 3787/4885TLR8 3173/4885TLR7 1107/4885

“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.