SCHEMBL24325902

SCHEMBL24325902

OC(Cc1ccccc1)[C@H]1COCCN1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A4 P31645 1/20 0.37
CTSC P53634 1/20 0.35
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CTSL P07711 1/20 0.33

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
SCHEMBL27370728 0.82 EPHX1 (0.39) SLC6A2SLC6A3SLC6A4CTSC
SCHEMBL22461896 0.76 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4CTSC
SCHEMBL20833040 0.76 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4CTSC
SCHEMBL22260324 0.76 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4CTSC
SCHEMBL25339415 0.76 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4CTSC
SCHEMBL6889303 0.76 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4CTSC
Hydrochloric Acid SCHEMBL6683095 0.75 EPHX1 (0.38) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL6666146 0.75 EPHX1 (0.38) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL6671579 0.75 EPHX1 (0.38) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL6666144 0.75 EPHX1 (0.38) SLC6A2SLC6A3SLC6A4

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 SLC6A2 3662/4885SLC6A3 2786/4885SLC6A4 2329/4885

“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.