SCHEMBL22894786

SCHEMBL22894786

Cc1cc(CC(C)c2cccnc2C(C)C)cnc1C(C)Cc1cccc(C(C)C)n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.31
▸ PIP4K2C Q8TBX8 1/20 0.30
▸ ACHE P22303 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
SCHEMBL21250118 0.81 SCN8A (0.34) PIP4K2CACHE
SCHEMBL26061532 0.69 TRPM8 (0.34) —
SCHEMBL18812906 0.67 CXCR4 (0.33) —
SCHEMBL21675599 0.67 ESR1 (0.37) —
SCHEMBL23790646 0.67 CXCR4 (0.36) ACHE
SCHEMBL21686632 0.66 PARP1 (0.34) —
SCHEMBL21250137 0.65 ESR1 (0.32) —
SCHEMBL18427396 0.65 SMN1; SMN2 (0.38) —
SCHEMBL19646227 0.65 SMN1; SMN2 (0.38) —
SCHEMBL19545352 0.64 HTR2A (0.37) NR3C2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-01-14 — — 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-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCR3, CXCR1 NR3C2 392/4885PIP4K2C 616/4885ACHE 4764/4885

“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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