SCHEMBL24970948

SCHEMBL24970948

CC(C)(C)OC(=O)N1CCN(c2nc3cccnc3cc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
GBA1 P04062 2/20 0.52
TRPA1 O75762 6/20 0.49
TRPV1 Q8NER1 2/20 0.49
KIT P10721 2/20 0.47
ACHE P22303 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
PGK1 P00558 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 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
SCHEMBL30903372 1.00 POLB (0.55) POLBGBA1TRPA1TRPV1KIT
SCHEMBL24970895 0.85 BACE1 (0.53) POLBGBA1KITACHEPDE10A
SCHEMBL2421627 0.83 TRPA1 (0.68) POLBTRPA1TRPV1GPR119
SCHEMBL23107933 0.82 GBA1 (0.58) POLBGBA1TRPA1TRPV1KIT
SCHEMBL31143019 0.82 HTR3B (0.57) POLBGBA1KITACHEPDE10A
SCHEMBL405743 0.82 HTR3B (0.57) POLBGBA1KITACHEPDE10A
SCHEMBL24970949 0.79 TRPV1 (0.40) TRPA1TRPV1CNR2HTR3EHTR3B
SCHEMBL31142866 0.79 MAPT (0.49) CNR1CNR2
SCHEMBL2366517 0.79 POLB (0.48) POLBGBA1KITCNR1CNR2
SCHEMBL4522230 0.79 GPR119 (0.57) POLBGBA1ACHECKS1BSKP1

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 5 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
EP-4373808-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS Institut national de la santé et de la recherche médicale (INSERM) (FR) 2024-05-29 EP disclosed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 CN 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
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 POLB 987/4885GBA1 1054/4885TRPA1 4145/4885

“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.