SCHEMBL14730797

SCHEMBL14730797

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NCC4CCCCN4)cc23)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
PARP1 P09874 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IKBKB O14920 2/20 0.38
RAB9A P51151 2/20 0.37
POLR1A O95602 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
PBK Q96KB5 2/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 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
SCHEMBL14730794 0.97 ROCK2 (0.44) SCN9APARP1ROCK2ROCK1TLR9
SCHEMBL14730732 0.80 KDM4E (0.43) SMN1; SMN2
SCHEMBL14730800 0.79 PARP1 (0.49) PARP1TLR8TLR7LMNASMN1; SMN2
SCHEMBL14730729 0.78 KDM4E (0.48) TLR9TLR8TLR7LMNATSHR
SCHEMBL14730766 0.77 RAB9A (0.47) TLR9TLR8TLR7RAB9A
SCHEMBL14730798 0.77 RAB9A (0.44) TLR9TLR8TLR7RAB9A
SCHEMBL16248395 0.77 RAB9A (0.47) PARP1TLR9TLR8TLR7HDAC4
SCHEMBL16248387 0.77 RAB9A (0.47) PARP1TLR9TLR8TLR7HDAC4
SCHEMBL14730725 0.77 RAB9A (0.47) PARP1TLR9TLR8TLR7HDAC4
SCHEMBL14730796 0.76 KDR (0.46) TLR8TLR7RAB9A

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 SCN9A 2705/4885PARP1 3610/4885ROCK2 2467/4885

“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.