SCHEMBL26808486

SCHEMBL26808486

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(N3CCN(C)CC3)c2Cl)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ TACR1 P25103 4/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ EGFR P00533 2/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ DRD1 P21728 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ TIPARP Q7Z3E1 1/20 0.32
▸ TNK2 Q07912 1/20 0.31
▸ CTSC P53634 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL26811673 0.94 HTR1A (0.33) HTR1AHTR7TACR1SCN9AEGFR
SCHEMBL29566268 0.94 HTR1A (0.36) HTR1AHTR7TACR1EGFRHTR6
SCHEMBL24310556 0.94 HTR1A (0.36) HTR1AHTR7TACR1EGFRHTR6
SCHEMBL26808935 0.91 HTR1A (0.36) HTR1AHTR7EGFRHTR6BRD4
SCHEMBL29566944 0.91 HTR1A (0.36) HTR1AHTR7EGFRHTR6BRD4
SCHEMBL29566915 0.91 HTR1A (0.35) HTR1AHTR7EGFRHTR6BRD4
SCHEMBL24310708 0.91 HTR1A (0.35) HTR1AHTR7EGFRHTR6BRD4
SCHEMBL29566582 0.90 HTR1A (0.36) HTR1AHTR7EGFRHTR6BRD4
SCHEMBL24310703 0.90 HTR1A (0.36) HTR1AHTR7EGFRHTR6BRD4
SCHEMBL24309981 0.90 HTR1A (0.33) HTR1AHTR7TACR1SCN9AEGFR

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 5 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
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 3833/4885TACR1 164/4885

“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.

Send feedback