SCHEMBL22221870

SCHEMBL22221870

CC(C)c1nc(CC(C)c2ccccc2C(F)(F)F)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 1/20 0.33
▸ CBLB Q13191 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ MPO P05164 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ SLC6A4 P31645 1/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.31
▸ ACP3 P15309 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ AR P10275 1/20 0.30
▸ MC4R P32245 1/20 0.30
▸ CNR1 P21554 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
SCHEMBL23503056 0.78 AR (0.32) TRPV3AR
SCHEMBL25488995 0.75 — —
SCHEMBL15316713 0.73 NOS3 (0.34) TRPV3
SCHEMBL30270585 0.68 TSHR (0.53) P2RX7HSD11B1SLC6A4CNR2PDE2A
SCHEMBL10120401 0.68 TSHR (0.53) P2RX7HSD11B1SLC6A4CNR2PDE2A
SCHEMBL9974290 0.68 GCGR (0.37) TRPV3
SCHEMBL84477 0.67 P2RX7 (0.50) TRPA1P2RX7HSD11B1CNR2ACP3
SCHEMBL22757221 0.67 P2RX7 (0.39) TRPA1P2RX7HSD11B1SLC6A4CNR2
SCHEMBL23776206 0.67 OPRD1 (0.37) —
SCHEMBL20133641 0.66 KDM4E (0.31) —

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-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2020-07-16 — — 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-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 CTSA 464/4885CBLB 3041/4885TRPA1 3411/4885

“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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