SCHEMBL26809792

SCHEMBL26809792

Cc1cccc(C)c1-c1cc(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.37
▸ BRD4 O60885 4/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TNK2 Q07912 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33

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
SCHEMBL29567125 1.00 HTR6 (0.37) HTR6BRD4HTR1ADRD2DRD3
SCHEMBL24309255 0.92 DRD2 (0.36) HTR6BRD4HTR1ADRD2DRD4
SCHEMBL29566539 0.92 DRD2 (0.36) HTR6BRD4HTR1ADRD2DRD4
SCHEMBL29566472 0.91 BRD4 (0.39) HTR6BRD4HTR1AHTR2AMAP4K1
SCHEMBL26809820 0.91 BRD4 (0.39) HTR6BRD4HTR1AHTR2AMAP4K1
SCHEMBL29567119 0.89 HTR6 (0.42) HTR6HTR1ADRD2DRD3DRD4
SCHEMBL24309421 0.88 BRD4 (0.36) HTR6BRD4HTR1AMAP4K1TNK2
SCHEMBL29566394 0.88 BRD4 (0.36) HTR6BRD4HTR1AMAP4K1TNK2
SCHEMBL24309442 0.88 BRD4 (0.37) HTR6BRD4HTR1ADRD3HTR2A
SCHEMBL29566947 0.88 BRD4 (0.37) HTR6BRD4HTR1ADRD3HTR2A

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 HTR6 2653/4885BRD4 1716/4885HTR1A 4018/4885

“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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