SCHEMBL4400920

SCHEMBL4400920

CC(C)(C)OC(=O)N1CCN(C[C@H]2COC(C)(C)O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 4/20 0.41
ADRA1D P25100 4/20 0.41
ADRA1B P35368 4/20 0.41
ADRA1A P35348 3/20 0.41
EPHX2 P34913 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CNR1 P21554 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL609609 0.82 USP2 (0.50) USP2SMN1; SMN2EPHX2CHRM2CHRM4
SCHEMBL608185 0.82 USP2 (0.50) USP2SMN1; SMN2EPHX2CHRM2CHRM4
SCHEMBL608264 0.82 USP2 (0.50) USP2SMN1; SMN2EPHX2CHRM2CHRM4
SCHEMBL13567961 0.82 GPR119 (0.38) TMEM97SIGMAR1USP2SMN1; SMN2EPHX2
SCHEMBL13568015 0.82 GPR119 (0.38) TMEM97SIGMAR1USP2SMN1; SMN2EPHX2
SCHEMBL23541130 0.81 RECQL (0.43) TMEM97SIGMAR1USP2SMN1; SMN2RECQL
SCHEMBL23539626 0.81 RECQL (0.43) TMEM97SIGMAR1USP2SMN1; SMN2RECQL
SCHEMBL850316 0.79 GPR119 (0.43) USP2SMN1; SMN2RECQLHPGD
SCHEMBL850317 0.79 GPR119 (0.43) USP2SMN1; SMN2RECQLHPGD
SCHEMBL1907569 0.76 TMEM97 (0.67) TMEM97SIGMAR1SMN1; SMN2HTR1AADRA1D

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 TMEM97 4025/4885SIGMAR1 4412/4885USP2 4700/4885

“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.