SCHEMBL4402223

SCHEMBL4402223

CC(C)(C)OC(=O)N1CCN(C[C@H](O)CO)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.52
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PRMT5 O14744 3/20 0.43
WDR77 Q9BQA1 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H2 P55055 1/20 0.41

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
SCHEMBL29101928 0.88 ABCB1 (0.52) ABCB1USP2SMN1; SMN2MAPTCHRM2
SCHEMBL18981843 0.87 ABCB1 (0.44) ABCB1USP2SMN1; SMN2MAPTATM
SCHEMBL10320627 0.86 ABCB1 (0.51) ABCB1USP2SMN1; SMN2MAPTATM
SCHEMBL10320433 0.86 ABCB1 (0.51) ABCB1USP2SMN1; SMN2MAPTATM
SCHEMBL1223408 0.86 ABCB1 (0.51) ABCB1USP2SMN1; SMN2MAPTCHRM2
SCHEMBL554734 0.86 ABCB1 (0.51) ABCB1USP2SMN1; SMN2MAPTCHRM2
SCHEMBL553694 0.86 ABCB1 (0.51) ABCB1USP2SMN1; SMN2MAPTCHRM2
SCHEMBL553695 0.86 ABCB1 (0.51) ABCB1USP2SMN1; SMN2MAPTCHRM2
SCHEMBL133673 0.86 ABCB1 (0.51) ABCB1USP2SMN1; SMN2MAPTATM
SCHEMBL1554952 0.86 ABCB1 (0.51) ABCB1USP2SMN1; SMN2MAPTATM

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
US-8178539-B2 Substituted 3,4,6,7-tetrahydro-5H-1,2a,4a,8-tetraazacyclopenta[cd]phenalenes and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-15 US disclosed
US-8178539-B2 Substituted 3,4,6,7-tetrahydro-5H-1,2a,4a,8-tetraazacyclopenta[cd]phenalenes and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-15 US disclosed
US-20100173906-A1 Substituted 3,4,6,7-Tetrahydro-5H-1,2a,4a,8-Tetraazacyclopenta[cd]Phenalenes and Methods 3M INNOVATIVE PROPERTIES COMPANY 2010-07-08 US disclosed
US-20100173906-A1 Substituted 3,4,6,7-Tetrahydro-5H-1,2a,4a,8-Tetraazacyclopenta[cd]Phenalenes and Methods 3M INNOVATIVE PROPERTIES COMPANY 2010-07-08 US disclosed
WO-2008030511-A2 SUBSTITUTED 3,4,6,7-TETRAHYDRO-5H, 1,2A,4A,8-TETRAAZACYCLOPENTA[CD]PHENALENES COLEY PHARMACEUTICIAL GROUP, INC. (US) 2008-03-13 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-20100173906-A1 Substituted 3,4,6,7-Tetrahydro-5H-1,2a,4a,8-Tetraazacyclopenta[cd]Phenalenes and Methods IL2, IL15, IL17A ABCB1 2416/4885USP2 4700/4885SMN1; SMN2 3348/4885

“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.