SCHEMBL24309606

SCHEMBL24309606

CC(C)CCc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Cl)c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.35
▸ HTR7 P34969 4/20 0.35
▸ DRD2 P14416 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ FLT4 P35916 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ CYBB P04839 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ KAT6A Q92794 1/20 0.31
▸ KAT5 Q92993 1/20 0.31
▸ CCNT1 O60563 3/20 0.30
▸ CCNB2 O95067 3/20 0.30
▸ CCNE2 O96020 3/20 0.30

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
SCHEMBL29567029 1.00 HTR1A (0.35) HTR1AHTR7DRD2HTR6FLT4
SCHEMBL24309621 0.86 HTR1A (0.37) HTR1AHTR7DRD2HTR6
SCHEMBL24309547 0.85 HTR1A (0.37) HTR1AHTR7MALT1ALDH1A1PTPN11
SCHEMBL29566455 0.85 HTR1A (0.37) HTR1AHTR7MALT1ALDH1A1PTPN11
SCHEMBL24309607 0.84 HTR1A (0.37) HTR1AHTR7DRD2HTR6
SCHEMBL24310169 0.82 FLT4 (0.31) FLT4KDRCNR2
SCHEMBL24310647 0.81 HTR1A (0.33) HTR1AHTR7KDRMALT1ALDH1A1
SCHEMBL24309573 0.79 HTR1A (0.38) HTR1AHTR7KDRMALT1ALDH1A1
SCHEMBL26808526 0.79 HTR1A (0.36) HTR1AHTR7DRD2HTR6FLT4
SCHEMBL26811982 0.79 HTR1A (0.35) HTR1AHTR7DRD2HTR6FLT4

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 3833/4885DRD2 4505/4885

“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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