SCHEMBL26807442

SCHEMBL26807442

CC(C)CCOc1cccc(-c2cc(Oc3ccc(N4CCN(C)CC4)cc3)nc(NS(=O)(=O)c3cnn(C)c3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.40
▸ HTR7 P34969 4/20 0.40
▸ BRD4 O60885 9/20 0.38
▸ MAP4K1 Q92918 2/20 0.37
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND2 P30279 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ DRD3 P35462 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
SCHEMBL29566365 0.96 HTR1A (0.40) HTR1AHTR7BRD4MAP4K1CDK4
SCHEMBL24309664 0.96 HTR1A (0.40) HTR1AHTR7BRD4MAP4K1CDK4
SCHEMBL26807447 0.93 BRD4 (0.39) HTR1AHTR7BRD4MAP4K1FGFR4
SCHEMBL26807435 0.89 HTR1A (0.40) HTR1AHTR7BRD4FGFR4JAK2
SCHEMBL26807431 0.88 BRD4 (0.38) HTR1AHTR7BRD4CDK4CCND1
SCHEMBL26807439 0.88 HTR1A (0.38) HTR1AHTR7BRD4FGFR4JAK2
SCHEMBL26807452 0.87 HTR1A (0.42) HTR1AHTR7BRD4CDK4CCND1
SCHEMBL26807449 0.86 BRD4 (0.38) HTR1AHTR7BRD4CDK4CCND1
SCHEMBL26826527 0.86 HRH1 (0.42) HTR1AHTR7BRD4MAP4K1JAK2
SCHEMBL29567093 0.84 BRD4 (0.36) HTR1AHTR7BRD4MAP4K1CDK4

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 4018/4885HTR7 3833/4885BRD4 1716/4885

“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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