SCHEMBL26806697

SCHEMBL26806697

CC(C)c1ccccc1-c1cc(Oc2ccc(N3CCN(C)CC3)cc2OC(F)(F)F)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ PLK1 P53350 6/20 0.37
▸ FGFR4 P22455 2/20 0.36
▸ RAD52 P43351 2/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ BRD4 O60885 6/20 0.35
▸ DCLK1 O15075 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL26806702 0.89 SOAT1 (0.38) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29567849 0.89 HTR6 (0.39) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29566903 0.89 HTR1A (0.39) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24309465 0.89 HTR6 (0.39) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24310456 0.89 HTR1A (0.39) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL26806747 0.87 HTR2C (0.43) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL26806717 0.86 HTR2C (0.46) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29566585 0.85 HTR2C (0.42) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24309506 0.85 HTR2C (0.42) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL26806704 0.85 SCN9A (0.36) HTR1AHTR2AHTR2CHTR7DRD3

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 HTR1A 4018/4885HTR2A 3630/4885HTR2C 4185/4885

“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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