SCHEMBL4755773

SCHEMBL4755773

CC(C)(C)OC(=O)NCC(=O)NCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.55
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.48
CACNA1H O95180 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
DRD2 P14416 2/20 0.46
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL12330919 0.92 LMNA (0.52) CD274LMNADRD2
SCHEMBL39934 0.90 CD274 (0.60) CD274TDP1POLBCACNA1HSMN1; SMN2
SCHEMBL4753694 0.88 CD274 (0.54) CD274TDP1POLBCACNA1HSMN1; SMN2
SCHEMBL9093109 0.82 CD274 (0.53) CD274TDP1POLBCACNA1HSMN1; SMN2
SCHEMBL39968 0.82 LMNA (0.58) CD274LMNADRD2
SCHEMBL21217985 0.80 CD274 (0.46) CD274TDP1SMN1; SMN2LMNADRD2
SCHEMBL2850188 0.80 CD274 (0.51) CD274TDP1LMNADRD2
SCHEMBL24172673 0.79 DRD2 (0.56) CD274TDP1CACNA1HDRD2KMT2A
SCHEMBL31301250 0.79 DRD2 (0.56) CD274TDP1CACNA1HDRD2KMT2A
SCHEMBL4024516 0.79 DRD2 (0.56) TDP1CACNA1HDRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018039641-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES PHARMATROPHIX, INC. (US) 2018-03-01 WO disclosed
US-9464066-B2 Deuterated compounds useful for treating neurodegenerative diseases PHARMATROPHIX, INC. (US) 2016-10-11 US disclosed
US-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES Ricerca Biosciences, LLC 2016-08-11 US disclosed
WO-2010102212-A2 NEUROTROPHIN MIMETICS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-09-10 WO disclosed
WO-2008155141-A2 NOVEL FACULTATIVE CATONIC STEROLS NOVOSOM AG (DE) 2008-12-24 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-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES NLN, NGF, BDNF CD274 2371/4885TDP1 666/4885POLB 2957/4885

“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.