SCHEMBL14730726

SCHEMBL14730726

CN1CCC[C@H](NC(=O)c2ccc3[nH]c4c(c3c2)C(C)(C)CC(C)(C)C4=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
TLR9 Q9NR96 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PBK Q96KB5 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
SCHEMBL14730802 0.85 TLR9 (0.41) RAB9ATLR8TLR7TLR9
SCHEMBL14730725 0.84 RAB9A (0.47) RAB9AHDAC4KDRTLR8TLR7
SCHEMBL16248395 0.84 RAB9A (0.47) RAB9AHDAC4KDRTLR8TLR7
SCHEMBL16248387 0.84 RAB9A (0.47) RAB9AHDAC4KDRTLR8TLR7
SCHEMBL14730838 0.84 RAB9A (0.42) RAB9AKDRTLR8TLR7NPC1
SCHEMBL14730764 0.83 RAB9A (0.49) RAB9AKDRTLR8TLR7NPC1
SCHEMBL14730769 0.83 RAB9A (0.46) RAB9ATLR8TLR7NPC1TLR9
SCHEMBL14730768 0.83 RAB9A (0.50) RAB9ATLR8TLR7NPC1ALDH1A1
SCHEMBL14730766 0.83 RAB9A (0.47) RAB9AKDRTLR8TLR7NPC1
SCHEMBL14730798 0.83 RAB9A (0.44) RAB9AKDRTLR8TLR7NPC1

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 1404/4885HDAC4 2738/4885HDAC6 1799/4885

“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.