SCHEMBL26811481

SCHEMBL26811481

CCc1c(Oc2cccc(N3CCN(C)CC3)c2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.40
▸ HTR1A P08908 4/20 0.40
▸ HTR7 P34969 4/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ HTR6 P50406 3/20 0.40
▸ RAD52 P43351 2/20 0.39
▸ BRD4 O60885 2/20 0.37
▸ GUSB P08236 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ EGFR P00533 3/20 0.35
▸ NUAK2 Q9H093 2/20 0.35
▸ NUAK1 O60285 1/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ TNK2 Q07912 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL24309586 0.94 HTR2C (0.39) HTR2CHTR1AHTR7HTR2ADRD3
SCHEMBL29567082 0.94 HTR2C (0.39) HTR2CHTR1AHTR7HTR2ADRD3
SCHEMBL29567219 0.92 HTR7 (0.42) HTR2CHTR1AHTR7HTR2ADRD3
SCHEMBL24309381 0.92 HTR7 (0.42) HTR2CHTR1AHTR7HTR2ADRD3
SCHEMBL29566777 0.91 CTSC (0.39) HTR2CHTR1AHTR7HTR2ADRD3
SCHEMBL24310093 0.91 CTSC (0.39) HTR2CHTR1AHTR7HTR2ADRD3
SCHEMBL24310431 0.90 HTR2C (0.41) HTR2CHTR1AHTR7HTR2ADRD3
SCHEMBL29567464 0.90 HTR1A (0.41) HTR2CHTR1AHTR7HTR2ADRD3
SCHEMBL29566298 0.90 HTR2C (0.41) HTR2CHTR1AHTR7HTR2ADRD3
SCHEMBL26808712 0.90 HTR7 (0.41) HTR2CHTR1AHTR7HTR2ADRD3

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 HTR2C 4185/4885HTR1A 4018/4885HTR7 3833/4885

“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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