SCHEMBL14730848

SCHEMBL14730848

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)N[C@H]4CC[C@H](NCC5CC5)CC4)cc23)C1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TLR7 Q9NYK1 6/20 0.41
TLR9 Q9NR96 5/20 0.41
TLR8 Q9NR97 4/20 0.40
SMYD3 Q9H7B4 2/20 0.40
MAPK14 Q16539 2/20 0.39
HSPB1 P04792 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK11 Q15759 1/20 0.39
KDM1A O60341 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RCOR1 Q9UKL0 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL14730847 0.87 SMYD3 (0.55) RAB9ANPC1TLR7TLR9TLR8
SCHEMBL14730799 0.87 SMYD3 (0.55) RAB9ANPC1TLR7TLR9TLR8
SCHEMBL14730766 0.85 RAB9A (0.47) RAB9ANPC1TLR7TLR9TLR8
SCHEMBL14730768 0.85 RAB9A (0.50) RAB9ANPC1TLR7TLR9TLR8
SCHEMBL14730769 0.84 RAB9A (0.46) RAB9ANPC1TLR7TLR9TLR8
SCHEMBL14730798 0.83 RAB9A (0.44) RAB9ANPC1TLR7TLR9TLR8
SCHEMBL14730796 0.83 KDR (0.46) RAB9ANPC1TLR7TLR8SMYD3
SCHEMBL14730722 0.83 KDR (0.46) RAB9ANPC1TLR7TLR8SMYD3
SCHEMBL14730764 0.82 RAB9A (0.49) RAB9ANPC1TLR7TLR9TLR8
SCHEMBL14730725 0.81 RAB9A (0.47) RAB9ANPC1TLR7TLR9TLR8

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-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
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 1404/4885NPC1 229/4885TLR7 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.