SCHEMBL24310771

SCHEMBL24310771

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.36
▸ HTR7 P34969 6/20 0.36
▸ EGFR P00533 9/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HTR6 P50406 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ MAP3K7 O43318 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31

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
SCHEMBL29567079 1.00 HTR1A (0.36) HTR1AHTR7EGFRDRD2HTR2A
SCHEMBL29567378 0.92 HTR1A (0.36) HTR1AHTR7EGFRDRD2HTR2A
SCHEMBL24310629 0.92 HTR1A (0.36) HTR1AHTR7EGFRDRD2HTR2A
SCHEMBL29567132 0.89 HTR1A (0.36) HTR1AHTR7EGFRDRD2HTR2A
SCHEMBL24310080 0.89 HTR1A (0.36) HTR1AHTR7EGFRDRD2HTR2A
SCHEMBL26811591 0.89 HTR6 (0.38) HTR1AHTR7EGFRDRD2HTR2A
SCHEMBL24310048 0.89 HTR1A (0.38) HTR1AHTR7EGFRDRD2HTR2A
SCHEMBL29566746 0.89 HTR1A (0.38) HTR1AHTR7EGFRDRD2HTR2A
SCHEMBL24310061 0.88 HTR1A (0.38) HTR1AHTR7EGFRDRD2HTR2A
SCHEMBL29566917 0.88 HTR1A (0.38) HTR1AHTR7EGFRDRD2HTR2A

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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US 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 3833/4885EGFR 818/4885

“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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