SCHEMBL14730766

SCHEMBL14730766

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCNCC4)cc23)C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
SMYD3 Q9H7B4 5/20 0.47
NPC1 O15118 1/20 0.46
TLR7 Q9NYK1 6/20 0.41
TLR8 Q9NR97 4/20 0.41
KDR P35968 1/20 0.41
JAK2 O60674 1/20 0.41
TLR9 Q9NR96 5/20 0.41
HTR4 Q13639 1/20 0.39
KHK P50053 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL14730764 0.96 RAB9A (0.49) RAB9ASMYD3NPC1TLR7TLR8
SCHEMBL14730796 0.95 KDR (0.46) RAB9ASMYD3NPC1TLR7TLR8
SCHEMBL14730722 0.95 KDR (0.46) RAB9ASMYD3NPC1TLR7TLR8
SCHEMBL14730768 0.90 RAB9A (0.50) RAB9ASMYD3NPC1TLR7TLR8
SCHEMBL14730798 0.90 RAB9A (0.44) RAB9ASMYD3NPC1TLR7TLR8
SCHEMBL16248395 0.89 RAB9A (0.47) RAB9ANPC1TLR7TLR8KDR
SCHEMBL14730725 0.89 RAB9A (0.47) RAB9ANPC1TLR7TLR8KDR
SCHEMBL16248387 0.89 RAB9A (0.47) RAB9ANPC1TLR7TLR8KDR
SCHEMBL14730847 0.89 SMYD3 (0.55) RAB9ASMYD3NPC1TLR7TLR8
SCHEMBL14730799 0.89 SMYD3 (0.55) RAB9ASMYD3NPC1TLR7TLR8

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 RAB9A 1404/4885SMYD3 4127/4885NPC1 229/4885

“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.