SCHEMBL928501

SCHEMBL928501

CC(C)(C)OC(=O)N1CC2CN(c3ccc(Br)cn3)CC2C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.50
GPR119 Q8TDV5 5/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
ACACB O00763 1/20 0.43
AKR1C3 P42330 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
NR1H2 P55055 1/20 0.42
USP30 Q70CQ3 2/20 0.42
HDAC1 Q13547 1/20 0.41
RORC P51449 2/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 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
SCHEMBL22795888 1.00 PDE10A (0.50) PDE10AGPR119KCNK3KCNK9HCRTR1
SCHEMBL31274442 1.00 PDE10A (0.50) PDE10AGPR119KCNK3KCNK9HCRTR1
SCHEMBL30205688 0.85 PDE10A (0.50) PDE10AGPR119HCRTR1HCRTR2DDB1
SCHEMBL30480343 0.84 AKR1C3 (0.57) GPR119AKR1C3DDB1CRBN
SCHEMBL22720768 0.84 GPR119 (0.50) PDE10AGPR119KCNK3KCNK9ACACB
SCHEMBL594352 0.84 AKR1C3 (0.57) GPR119AKR1C3DDB1CRBN
SCHEMBL17509655 0.83 GPR119 (0.48) GPR119USP30HDAC1RORCFPR2
SCHEMBL16134985 0.83 GPR119 (0.48) GPR119USP30HDAC1RORCFPR2
SCHEMBL29712339 0.82 AKR1C3 (0.56) GPR119AKR1C3DDB1CRBN
SCHEMBL21522211 0.82 PDE10A (0.48) PDE10AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440054-A Degradation agent, composition and application of cyclin-dependent kinase 12/13 浙江大学 2024-08-06 CN disclosed
WO-2020248972-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-12-17 WO disclosed
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP disclosed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 US 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 (2 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-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 PDE10A 1088/4885GPR119 69/4885KCNK3 129/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 PDE10A 1459/4885GPR119 84/4885KCNK3 201/4885

“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.