SCHEMBL24970896

SCHEMBL24970896

Cc1cc2ccccc2nc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.53
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OGFRL1 Q5TC84 1/20 0.52
BACE1 P56817 1/20 0.52
PDE10A Q9Y233 1/20 0.52
KIT P10721 1/20 0.49
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
ACHE P22303 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
PBRM1 Q86U86 1/20 0.47
NAMPT P43490 1/20 0.46
TLR9 Q9NR96 3/20 0.45
TLR7 Q9NYK1 1/20 0.45
MAP4K4 O95819 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
SCHEMBL30903377 0.87 BACE1 (0.53) GBA1OPRM1OPRD1OGFRL1BACE1
SCHEMBL24970895 0.87 BACE1 (0.53) GBA1OPRM1OPRD1OGFRL1BACE1
SCHEMBL31143062 0.87 BACE1 (0.56) GBA1OPRM1OPRD1OGFRL1BACE1
SCHEMBL24970853 0.87 BACE1 (0.53) GBA1OPRM1OPRD1OGFRL1BACE1
SCHEMBL24970897 0.84 L3MBTL1 (0.55) GBA1OPRM1OPRD1OGFRL1BACE1
SCHEMBL24951551 0.84 GBA1 (0.56) GBA1OPRM1OPRD1OGFRL1BACE1
SCHEMBL30819461 0.84 GBA1 (0.56) GBA1OPRM1OPRD1OGFRL1BACE1
SCHEMBL2366187 0.81 GBA1 (0.47) GBA1KITCKS1BSKP1SKP2
SCHEMBL31143071 0.81 BACE1 (0.56) GBA1OPRM1OPRD1OGFRL1BACE1
SCHEMBL24970892 0.81 BACE1 (0.56) GBA1OPRM1OPRD1OGFRL1BACE1

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 GBA1 1054/4885OPRM1 997/4885OPRD1 3291/4885

“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.