SCHEMBL903369

SCHEMBL903369

CC1(C)C[C@@H](C=O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
EPHX2 P34913 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BUB1 O43683 1/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL26782338 1.00 NR1H2 (0.35) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL19152024 0.86 NR1H2 (0.34) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL9003330 0.85 EPHX2 (0.35) NR1H2EPHX2DDB1CRBNHSD17B10
SCHEMBL17181235 0.84 HDAC8 (0.33) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL704922 0.83 NR1H2 (0.34) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL16042147 0.83 NR1H2 (0.34) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL935288 0.83 NR1H2 (0.34) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL704921 0.83 NR1H2 (0.34) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL935289 0.83 NR1H2 (0.34) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL26782806 0.83 NR1H2 (0.34) NR1H2HDAC8CHRM2CHRM1CHRM3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621279-B1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-9254292-B2 Fused tetracycle derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-09 US disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 US disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 US disclosed
WO-2012050848-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2012-04-19 WO disclosed
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012040923-A1 TETRACYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012040924-A1 FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012041227-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 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-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, ZC3HAV1L NR1H2 265/4885HDAC8 2743/4885CHRM2 4679/4885

“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.