SCHEMBL24326342

SCHEMBL24326342

CC(C)CC1NCCN(Cc2ccccc2)CC1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.49
ALDH1A1 P00352 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
LTA4H P09960 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GBA1 P04062 1/20 0.43
SLC18A3 Q16572 1/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
TACR1 P25103 2/20 0.40
MAN2A1 Q16706 1/20 0.40
MAN1B1 Q9UKM7 1/20 0.40
CCR5 P51681 2/20 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
SCHEMBL24325745 1.00 FUCA1 (0.49) FUCA1ALDH1A1SIGMAR1LTA4HKDM4E
SCHEMBL24326663 1.00 FUCA1 (0.49) FUCA1ALDH1A1SIGMAR1LTA4HKDM4E
SCHEMBL3492627 0.81 LTA4H (0.56) ALDH1A1SIGMAR1LTA4HKDM4EMEN1
SCHEMBL1005584 0.81 LTA4H (0.56) ALDH1A1SIGMAR1LTA4HKDM4EMEN1
SCHEMBL4631987 0.81 LTA4H (0.56) ALDH1A1SIGMAR1LTA4HKDM4EMEN1
SCHEMBL4754607 0.79 FUCA1 (0.54) FUCA1ALDH1A1GBA1SLC18A3
SCHEMBL24326232 0.78 FUCA1 (0.47) FUCA1KDM4EMEN1KMT2AGBA1
SCHEMBL24326249 0.78 FUCA1 (0.47) FUCA1KDM4EMEN1KMT2AGBA1
SCHEMBL24326161 0.78 FUCA1 (0.47) FUCA1KDM4EMEN1KMT2AGBA1
SCHEMBL5463927 0.76 LTA4H (0.54) FUCA1ALDH1A1SIGMAR1LTA4HKDM4E

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 7 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
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO 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 2801/4885ALDH1A1 4077/4885SIGMAR1 1818/4885

“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.