SCHEMBL3697263

SCHEMBL3697263

CC(C)(C)OC(=O)N1CCC2CNC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.39
HSD17B10 Q99714 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CCR5 P51681 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
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
SCHEMBL2411163 1.00 GPR119 (0.39) GPR119HSD17B10NR1H2NR1H3CCR5
SCHEMBL1035621 1.00 GPR119 (0.39) GPR119HSD17B10NR1H2NR1H3CCR5
SCHEMBL1135308 1.00 GPR119 (0.39) GPR119HSD17B10NR1H2NR1H3CCR5
SCHEMBL12159521 1.00 GPR119 (0.39) GPR119HSD17B10NR1H2NR1H3CCR5
Hydrochloric Acid SCHEMBL1468786 0.98 GPR119 (0.38) GPR119HSD17B10NR1H2NR1H3CCR5
SCHEMBL23654034 0.91 HSD17B10 (0.45) HSD17B10NR1H2NR1H3HPGD
SCHEMBL6983332 0.91 HSD17B10 (0.45) HSD17B10NR1H2NR1H3HPGD
SCHEMBL1982884 0.91 HSD17B10 (0.45) HSD17B10NR1H2NR1H3HPGD
SCHEMBL3789080 0.91 HSD17B10 (0.45) HSD17B10NR1H2NR1H3HPGD
SCHEMBL2095212 0.91 HSD17B10 (0.45) HSD17B10NR1H2NR1H3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188288-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE N-OXIDES Abbott Laboratories (US) 2010-05-26 EP disclosed
WO-2009114575-A1 TRICYCLIC SPIRO PYRIMIDINE DERIVATIVES AS HISTAMINE H4 LIGAND ABBOTT LABORATORIES (US) 2009-09-17 WO disclosed
WO-2009036132-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE N-OXIDES ABBOTT LABORATORIES (US) 2009-03-19 WO disclosed
EP-2001885-A2 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES Abbott Laboratories (US) 2008-12-17 EP disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 US disclosed
US-20080159958-A1 DETERMINATION OF HISTAMINE-3 BIOACTIVITY ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
WO-2008060767-A2 MACROCYCLIC BENZOFUSED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
WO-2007100990-A2 OCTAHYDRO-PYRROLO[3,4-B] PYRROLE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-09-07 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS GPR119 1358/4885HSD17B10 1213/4885NR1H2 2355/4885

“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.