SCHEMBL24970895

SCHEMBL24970895

CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
GBA1 P04062 2/20 0.53
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OGFRL1 Q5TC84 1/20 0.51
PDE10A Q9Y233 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
KIT P10721 1/20 0.48
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
ACHE P22303 2/20 0.47
POLB P06746 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
NAMPT P43490 1/20 0.46
TLR9 Q9NR96 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL31142919 0.87 GBA1 (0.52) BACE1GBA1OPRM1OPRD1OGFRL1
SCHEMBL24970896 0.87 GBA1 (0.53) BACE1GBA1OPRM1OPRD1OGFRL1
SCHEMBL31142866 0.86 MAPT (0.49) CNR1CNR2MAPK1SMN1; SMN2CCNK
SCHEMBL31143062 0.86 BACE1 (0.56) BACE1GBA1OPRM1OPRD1OGFRL1
SCHEMBL24970853 0.86 BACE1 (0.53) BACE1GBA1OPRM1OPRD1OGFRL1
SCHEMBL30903377 0.86 BACE1 (0.53) BACE1GBA1OPRM1OPRD1OGFRL1
SCHEMBL24970948 0.85 POLB (0.55) GBA1OPRM1OPRD1OGFRL1PDE10A
SCHEMBL30903372 0.85 POLB (0.55) GBA1OPRM1OPRD1OGFRL1PDE10A
SCHEMBL31143014 0.85 MAP4K4 (0.44) BACE1GBA1OPRM1OPRD1OGFRL1
SCHEMBL30223012 0.85 BACE1 (0.53) BACE1GBA1OPRM1OPRD1OGFRL1

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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 US disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B BACE1 2987/4885GBA1 1054/4885OPRM1 997/4885

“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.