SCHEMBL16248395

SCHEMBL16248395

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)N[C@H]4CCCNC4)cc23)C1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.45
OPRK1 P41145 1/20 0.45
NPC1 O15118 1/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
KDR P35968 1/20 0.41
JAK2 O60674 1/20 0.41
PARP1 P09874 2/20 0.41
CHEK1 O14757 4/20 0.41
TOP2A P11388 1/20 0.41
TLR9 Q9NR96 1/20 0.40
CDK2AP1 O14519 1/20 0.39
HDAC4 P56524 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPKAPK2 P49137 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
SCHEMBL16248387 1.00 RAB9A (0.47) RAB9AMAPK1OPRK1NPC1TLR8
SCHEMBL14730725 1.00 RAB9A (0.47) RAB9AMAPK1OPRK1NPC1TLR8
SCHEMBL14730722 0.94 KDR (0.46) RAB9ANPC1TLR8TLR7KDR
SCHEMBL14730796 0.94 KDR (0.46) RAB9ANPC1TLR8TLR7KDR
SCHEMBL14730764 0.93 RAB9A (0.49) RAB9ANPC1TLR8TLR7KDR
SCHEMBL14730798 0.91 RAB9A (0.44) RAB9ANPC1TLR8TLR7KDR
SCHEMBL14730766 0.89 RAB9A (0.47) RAB9ANPC1TLR8TLR7KDR
SCHEMBL14730704 0.86 KDR (0.43) RAB9AMAPK1OPRK1NPC1TLR8
SCHEMBL14730749 0.86 KDR (0.44) RAB9ANPC1TLR8TLR7KDR
SCHEMBL14730703 0.86 KDR (0.44) RAB9ANPC1TLR8TLR7KDR

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 4 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

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 1404/4885MAPK1 2053/4885OPRK1 1138/4885

“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.