SCHEMBL23843301

SCHEMBL23843301

CC(C)c1cc(CC(C)c2ncccc2F)ccn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 2/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ USP1 O94782 1/20 0.31
▸ TDO2 P48775 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
SCHEMBL22639199 0.83 PNMT (0.36) NR3C2CYP2D6HRH1
SCHEMBL19346224 0.83 TRPM8 (0.36) NR3C2TRPM8
SCHEMBL25744955 0.77 HTR2A (0.33) NR3C2
SCHEMBL19132988 0.76 CYP2D6 (0.32) CYP2D6CHRM1HRH1KCNH2
SCHEMBL19227962 0.75 NR3C2 (0.56) NR3C2
SCHEMBL12120626 0.73 GABRA1 (0.40) NR3C2
SCHEMBL20694181 0.73 NR3C2 (0.42) NR3C2CYP2D6KCNH2L3MBTL1
SCHEMBL9963324 0.73 CYP2D6 (0.40) CYP2D6CHRM1HRH1KCNH2L3MBTL1
SCHEMBL19492754 0.72 CYP2D6 (0.33) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL22040174 0.72 CYP2D6 (0.39) CYP2D6CHRM1HRH1KCNH2L3MBTL1

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-20210292349-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 KANCERA AB (SE) 2021-09-23 — — 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-20210292349-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 CX3CR1, CXCR3, CXCR1 NR3C2 1421/4885CYP2D6 1197/4885CHRM1 183/4885

“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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