SCHEMBL6887697

SCHEMBL6887697

CC12CC3(C)CC(NC(=O)OC(C)(C)C)(C1)CC(N(Cc1ccccc1)c1ccccc1)(C2)C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.43
CTSS P25774 3/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGES O14684 1/20 0.36
ATM Q13315 1/20 0.35
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
EPHX2 P34913 1/20 0.34
IDO1 P14902 1/20 0.34
GHSR Q92847 1/20 0.34

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
SCHEMBL6130356 0.79 CA12 (0.46) AKT1CTSSDPP8DPP9CA12
SCHEMBL6130358 0.79 SYK (0.48) CTSSCTSLCTSBDPP8DPP9
SCHEMBL14657570 0.73 MEN1 (0.42) DPP8DPP9KMT2ANPSR1
SCHEMBL27231928 0.72 SYK (0.53) AKT1CTSSCTSLCTSBDPP8
SCHEMBL29584836 0.70 CTSS (0.47) AKT1CTSSCTSLCTSBDPP8
SCHEMBL30561275 0.69 GAA (0.40) DPP8DPP9KMT2ANPSR1
SCHEMBL23460475 0.69 SYK (0.47) AKT1CTSSCTSLDPP8DPP9
SCHEMBL21238259 0.69 DPP8 (0.43) AKT1CTSSDPP8DPP9CA12
SCHEMBL31628509 0.68 NPFFR1 (0.49) KMT2AL3MBTL1NPFFR1NPFFR2NPSR1
SCHEMBL19742775 0.68 AKT1 (0.50) AKT1CTSSCTSLCTSBCA12

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-20040186320-A1 Alpha-phenyl-N-(7-tert-butoxycarbonylamino-3,5-dialkyl -adamantane)nitrones; treating disorders resulting from overproduction of nitric oxide and other free radicals such as neurological, neuropsychiatric and inflammatory disorders WANG YUQIANG (US) 2004-09-23 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-20040186320-A1 Alpha-phenyl-N-(7-tert-butoxycarbonylamino-3,5-dialkyl -adamantane)nitrones; treating disorders resulting from overproduction of nitric oxide and other free radicals such as neurological, neuropsychiatric and inflammatory disorders NOS1, NOS3, NOS2 AKT1 1729/4885CTSS 1442/4885CTSL 883/4885

“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.