SCHEMBL29566698

SCHEMBL29566698

CC(C)c1ccccc1Oc1cc(C2(O)C(C)CCCC2C)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 18/20 0.47
▸ HTR7 P34969 18/20 0.47
▸ DRD2 P14416 6/20 0.47
▸ HTR6 P50406 4/20 0.47
▸ HTR2A P28223 4/20 0.41
▸ MAPK1 P28482 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ NLRP3 Q96P20 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
SCHEMBL24309839 1.00 HTR1A (0.47) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26807601 0.87 HTR1A (0.40) HTR1AHTR7DRD2HTR6NLRP3
SCHEMBL24309844 0.83 HTR1A (0.32) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26810547 0.79 HTR1A (0.48) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566524 0.79 NLRP3 (0.35) HTR1AHTR7DRD2HTR6NLRP3
SCHEMBL24309657 0.79 NLRP3 (0.35) HTR1AHTR7DRD2HTR6NLRP3
SCHEMBL26807593 0.79 HRH3 (0.37) —
SCHEMBL26807590 0.78 HRH3 (0.42) HTR1AHTR7
SCHEMBL26807599 0.78 FLT3 (0.34) HTR6
SCHEMBL24309636 0.77 NLRP3 (0.34) HTR1AHTR7NLRP3

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HTR1A 4018/4885HTR7 3833/4885DRD2 4505/4885

“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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