SCHEMBL26807391

SCHEMBL26807391

CN1CCN(c2cccc(Oc3cc(-c4ccccc4C4CCC4)nc(NS(=O)(=O)c4cnn(C)c4)n3)c2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.37
▸ HTR7 P34969 6/20 0.37
▸ HTR6 P50406 6/20 0.33
▸ DRD2 P14416 4/20 0.33
▸ DRD1 P21728 3/20 0.33
▸ EGFR P00533 3/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ TNK2 Q07912 2/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32

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
SCHEMBL29566863 1.00 HTR1A (0.37) HTR1AHTR7HTR6DRD2DRD1
SCHEMBL29566539 0.88 DRD2 (0.36) HTR1AHTR7HTR6DRD2DRD1
SCHEMBL24309255 0.88 DRD2 (0.36) HTR1AHTR7HTR6DRD2DRD1
SCHEMBL29567213 0.86 DRD2 (0.41) HTR1AHTR7HTR6DRD2DRD1
SCHEMBL29567079 0.86 HTR1A (0.36) HTR1AHTR7HTR6DRD2EGFR
SCHEMBL24310771 0.86 HTR1A (0.36) HTR1AHTR7HTR6DRD2EGFR
SCHEMBL24309806 0.85 EGFR (0.31) EGFR
SCHEMBL26807398 0.85 HTR6 (0.35) HTR1AHTR7HTR6DRD2DRD1
SCHEMBL29567119 0.84 HTR6 (0.42) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL29567125 0.84 HTR6 (0.37) HTR1AHTR7HTR6DRD2HTR2A

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 3833/4885HTR6 2653/4885

“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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