SCHEMBL26806466

SCHEMBL26806466

Cc1cccc(C)c1-c1cc(Oc2ccc(NCCC(C)C)nc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.34
▸ HTR7 P34969 4/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ MAP4K1 Q92918 7/20 0.32
▸ TTK P33981 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NMT1 P30419 4/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ BRD4 O60885 1/20 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
SCHEMBL26814517 0.91 SMN1; SMN2 (0.38) HTR1AHTR7PIK3CDPIK3CBMTOR
SCHEMBL26814554 0.90 ALDH1A1 (0.39) HTR1AHTR7PIK3CDPIK3CBMTOR
SCHEMBL26856788 0.90 HTR1A (0.34) HTR1AHTR7PIK3CDPIK3CBMTOR
SCHEMBL26814696 0.89 MTOR (0.36) HTR1AHTR7PIK3CDPIK3CBMTOR
SCHEMBL26814683 0.89 MKNK1 (0.38) HTR1AHTR7PIK3CDPIK3CBMTOR
SCHEMBL26814500 0.89 HTR1A (0.36) HTR1AHTR7PIK3CDPIK3CBMTOR
SCHEMBL26814536 0.88 PIK3CD (0.36) HTR1AHTR7PIK3CDPIK3CBMTOR
SCHEMBL26814745 0.88 BPTF (0.35) HTR1AHTR7PIK3CDPIK3CBMTOR
SCHEMBL24310279 0.88 HTR1A (0.36) HTR1AHTR7PIK3CDPIK3CBMTOR
SCHEMBL26814715 0.87 MAP4K1 (0.33) PIK3CDPIK3CBMTORPIK3CGMAP4K1

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 3833/4885PIK3CD 368/4885

“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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