SCHEMBL6329178

SCHEMBL6329178

CC(C)(C)OC(=O)N1CC2=CN(c3ccc(-c4cccc(C(F)(F)F)c4)nc3)CC2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.40
KDM1A O60341 4/20 0.40
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
HPGDS O60760 2/20 0.37
DHODH Q02127 1/20 0.37
KMO O15229 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAP2K4 P45985 1/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN1 Q05586 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL6324403 0.89 USP30 (0.44) GPR119HPGDSMAPT
SCHEMBL6323850 0.88 HPGDS (0.38) GPR119HPGDS
SCHEMBL6330093 0.81 GPR119 (0.43) GPR119HPGDSPOLB
SCHEMBL6329173 0.81 CHRNB2 (0.45) GPR119KDM1AMAOBMAOADHODH
SCHEMBL6324664 0.78 HPGDS (0.53) GPR119HPGDSPOLB
SCHEMBL928188 0.78 MEN1 (0.41) GPR119POLBMAPT
SCHEMBL6321817 0.78 GPR119 (0.38) GPR119HPGDSPOLB
SCHEMBL6329284 0.77 KDM1A (0.38) GPR119KDM1AHPGDSPOLB
SCHEMBL6331666 0.75 GPR119 (0.54) GPR119POLBMAPT
SCHEMBL929934 0.75 F13A1 (0.36) GPR119HPGDSPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 GPR119 69/4885KDM1A 910/4885MAOB 1046/4885

“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.