SCHEMBL3336423

SCHEMBL3336423

CC(c1ccccc1)N1CC2CN(C(=O)OC(C)(C)C)CCC21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.51
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
USP30 Q70CQ3 5/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
STS P08842 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
HPGDS O60760 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
SCHEMBL1586795 0.91 GPR119 (0.54) GPR119JAK2JAK1USP30NPC1
SCHEMBL1586797 0.91 GPR119 (0.54) GPR119JAK2JAK1USP30NPC1
SCHEMBL929459 0.91 GPR119 (0.54) GPR119JAK2JAK1USP30NPC1
SCHEMBL17228502 0.90 GPR119 (0.48) GPR119JAK2JAK1USP30NPC1
SCHEMBL650351 0.84 GPR119 (0.51) GPR119JAK2JAK1USP30NPC1
SCHEMBL650857 0.84 GPR119 (0.51) GPR119JAK2JAK1USP30NPC1
SCHEMBL3335897 0.81 DPP4 (0.45) MAPK1
SCHEMBL10073179 0.80 CCR5 (0.48) GPR119JAK2JAK1USP30NPC1
SCHEMBL24509729 0.79 GPR119 (0.48) GPR119JAK2JAK1USP30NPC1
SCHEMBL28483873 0.79 GPR119 (0.53) GPR119NPC1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 US disclosed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 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-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS CHRNA10, CHRNA2, CHRNE GPR119 183/4885JAK2 3962/4885JAK1 3715/4885

“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.