SCHEMBL24310080

SCHEMBL24310080

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTR7 P34969 2/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ EGFR P00533 7/20 0.34
▸ HTR6 P50406 4/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL29567132 1.00 HTR1A (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL29566988 0.94 BRD9 (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL24310146 0.94 BRD9 (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL26811591 0.93 HTR6 (0.38) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL29566944 0.93 HTR1A (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL26808935 0.93 HTR1A (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL29566946 0.92 ALDH1A1 (0.36) HTR1AHTR7HTR6LMNAMAPT
SCHEMBL26808181 0.92 ALDH1A1 (0.36) HTR1AHTR7HTR6LMNAMAPT
SCHEMBL26811579 0.92 HTR1A (0.35) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL26811572 0.92 HTR1A (0.35) HTR1ADRD2DRD4HTR2AHTR2C

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 4018/4885DRD2 4505/4885DRD4 4670/4885

“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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