SCHEMBL17045004

SCHEMBL17045004

CC(=O)Nc1ccc(-c2cc3cc(-c4nnc([C@@H]5CCCN5C(=O)Cc5ccccc5)o4)ccc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 10/20 0.42
CPT2 P23786 5/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
SLC2A1 P11166 1/20 0.40
AADAT Q8N5Z0 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MMP13 P45452 1/20 0.39
NAMPT P43490 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
SCHEMBL17045003 0.87 HCRTR1 (0.40) CPT1ACPT2HCRTR1HCRTR2SLC2A1
SCHEMBL16188339 0.85 KCNH2 (0.41) CPT1ACPT2HCRTR1HCRTR2SLC2A1
SCHEMBL30065501 0.84 KCNH2 (0.47) CPT1ACPT2HCRTR1HCRTR2SLC2A1
SCHEMBL20952286 0.84 KCNH2 (0.47) CPT1ACPT2HCRTR1HCRTR2SLC2A1
SCHEMBL474879 0.84 KCNH2 (0.47) CPT1ACPT2HCRTR1HCRTR2SLC2A1
SCHEMBL894772 0.83 KCNH2 (0.39) CPT1ACPT2HCRTR1HCRTR2SLC2A1
SCHEMBL17044953 0.82 HCRTR1 (0.49) HCRTR1HCRTR2SLC2A1
SCHEMBL16309223 0.82 HCRTR1 (0.49) HCRTR1HCRTR2SLC2A1
SCHEMBL20952517 0.81 KCNH2 (0.43) CPT1ACPT2HCRTR1HCRTR2SLC2A1
SCHEMBL10173660 0.81 KCNH2 (0.43) CPT1ACPT2HCRTR1HCRTR2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 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-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CPT1A 154/4885CPT2 1708/4885HCRTR1 4044/4885

“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.