SCHEMBL24326161

SCHEMBL24326161

CC(C)C[C@H]1NC(=O)CN(Cc2ccccc2)C[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.47
CCR5 P51681 7/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
GBA1 P04062 1/20 0.41
TACR1 P25103 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL24326232 1.00 FUCA1 (0.47) FUCA1CCR5GAAHTTPAX8
SCHEMBL24326249 1.00 FUCA1 (0.47) FUCA1CCR5GAAHTTPAX8
SCHEMBL24326686 0.81 FUCA1 (0.53) FUCA1GAAGBA1MEN1KMT2A
SCHEMBL24325745 0.78 FUCA1 (0.49) FUCA1CCR5GBA1TACR1KDM4E
SCHEMBL24326663 0.78 FUCA1 (0.49) FUCA1CCR5GBA1TACR1KDM4E
SCHEMBL24326342 0.78 FUCA1 (0.49) FUCA1CCR5GBA1TACR1KDM4E
SCHEMBL24325760 0.76 GAA (0.51) CCR5GAAHTTPAX8TACR1
SCHEMBL24326331 0.76 GAA (0.51) CCR5GAAHTTPAX8TACR1
SCHEMBL3318028 0.74 ACHE (0.46) FUCA1GAATACR1
SCHEMBL3318031 0.74 ACHE (0.46) FUCA1GAATACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B FUCA1 2801/4885CCR5 1753/4885GAA 1045/4885

“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.