SCHEMBL31142829

SCHEMBL31142829

CC(C)(C)OC(=O)N1CCN(c2nc3ccc(C(F)(F)F)cc3cc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
ENPP2 Q13822 1/20 0.45
GBA1 P04062 2/20 0.43
KCNH2 Q12809 2/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
MAP4K4 O95819 1/20 0.43
BACE1 P56817 1/20 0.43
TLR9 Q9NR96 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
KIT P10721 1/20 0.41
NAMPT P43490 1/20 0.41
HDAC4 P56524 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL31142826 0.86 GBA1 (0.46) MAPTGPR119GBA1KCNH2MAP4K4
SCHEMBL31142876 0.85 MEN1 (0.46) MAPTGBA1KCNH2ABL1BCR
SCHEMBL31143062 0.84 BACE1 (0.56) GBA1KCNH2MAP4K4BACE1TLR9
SCHEMBL10219267 0.82 ENPP2 (0.47) MAPTGPR119ENPP2GBA1MAP4K4
SCHEMBL440019 0.81 GPR119 (0.49) MAPTGPR119ENPP2GBA1MAP4K4
SCHEMBL440733 0.81 GPR119 (0.49) MAPTGPR119ENPP2GBA1MAP4K4
SCHEMBL20495447 0.80 GPR119 (0.53) MAPTGPR119ENPP2KCNH2BACE1
SCHEMBL115105 0.80 GPR119 (0.53) MAPTGPR119ENPP2BACE1MEN1
SCHEMBL29165882 0.79 MEN1 (0.56) MAPTGPR119GBA1KCNH2KIT
SCHEMBL30940692 0.79 MEN1 (0.56) MAPTGPR119GBA1KCNH2KIT

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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B MAPT 3200/4885GPR119 2216/4885ENPP2 839/4885

“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.