SCHEMBL4403100

SCHEMBL4403100

CC(C)(C)OC(=O)N1CCC([C@H](O)CO)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
DPP4 P27487 1/20 0.49
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.48
IDO1 P14902 3/20 0.47
GPR119 Q8TDV5 4/20 0.46
EED O75530 1/20 0.46
RBBP4 Q09028 1/20 0.46
SUZ12 Q15022 1/20 0.46
EZH2 Q15910 1/20 0.46
AEBP2 Q6ZN18 1/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR1H2 P55055 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1693087 1.00 HPGD (0.50) HPGDDPP4RECQLEPHX1IDO1
SCHEMBL1279779 0.91 NR1H2 (0.46) HPGDDPP4RECQLEPHX1IDO1
SCHEMBL958700 0.91 NR1H2 (0.46) HPGDDPP4RECQLEPHX1IDO1
SCHEMBL15265664 0.91 NR1H2 (0.46) HPGDDPP4RECQLEPHX1IDO1
SCHEMBL1279783 0.91 NR1H2 (0.46) HPGDDPP4RECQLEPHX1IDO1
SCHEMBL958699 0.91 NR1H2 (0.46) HPGDDPP4RECQLEPHX1IDO1
SCHEMBL3257440 0.89 HPGD (0.51) HPGDDPP4RECQLEPHX1IDO1
SCHEMBL21995203 0.88 HPGD (0.48) HPGDDPP4RECQLEPHX1IDO1
SCHEMBL2225474 0.86 DPP4 (0.51) HPGDDPP4RECQLEPHX1IDO1
SCHEMBL30981287 0.86 HPGD (0.49) HPGDDPP4RECQLEPHX1GPR119

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 HPGD 126/4885DPP4 3464/4885RECQL 2659/4885

“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.