SCHEMBL26808526

SCHEMBL26808526

CC(C)CCc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccccc2OC(C)C)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.36
▸ HTR7 P34969 7/20 0.36
▸ APLNR P35414 2/20 0.34
▸ DRD2 P14416 3/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ EDNRA P25101 3/20 0.31
▸ HTR2A P28223 2/20 0.30
▸ FLT4 P35916 1/20 0.30

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
SCHEMBL24309607 0.93 HTR1A (0.37) HTR1AHTR7APLNRDRD2HTR6
SCHEMBL24310647 0.87 HTR1A (0.33) HTR1AHTR7
SCHEMBL29566490 0.84 CTSC (0.34) HTR1AHTR7HTR6HTR2A
SCHEMBL26808497 0.84 CTSC (0.34) HTR1AHTR7HTR6HTR2A
SCHEMBL29566808 0.84 DAPK1 (0.36) —
SCHEMBL26808500 0.84 DAPK1 (0.36) —
SCHEMBL29568105 0.83 PTK2 (0.34) HTR1AHTR7DRD2HTR6FLT4
SCHEMBL24309837 0.83 PTK2 (0.34) HTR1AHTR7DRD2HTR6FLT4
SCHEMBL26808528 0.83 EGFR (0.38) HTR6FLT4
SCHEMBL24309621 0.83 HTR1A (0.37) HTR1AHTR7DRD2HTR6EDNRA

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HTR1A 4018/4885HTR7 3833/4885APLNR 1729/4885

“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.

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