SCHEMBL19346224

SCHEMBL19346224

CC(C)c1cc(CC(C)c2ncccc2C(F)(F)F)ccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 10/20 0.36
▸ CXCR4 P61073 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ PRKG2 Q13237 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ NR3C2 P08235 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ HSD11B1 P28845 2/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31

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
SCHEMBL23843301 0.83 NR3C2 (0.34) TRPM8NR3C2
SCHEMBL22639199 0.80 PNMT (0.36) HTR2AHTR2CHTR2BNR3C2
SCHEMBL18763524 0.76 ADRB2 (0.46) HTR2AHTR2CHTR2BCYP3A4NR3C2
SCHEMBL4547925 0.75 TRPM8 (0.47) TRPM8CXCR4HSD11B1
SCHEMBL14519455 0.74 TRPM8 (0.42) TRPM8CXCR4HSD11B1
SCHEMBL25744955 0.74 HTR2A (0.33) HTR2AHTR2CHTR2BNR3C2
SCHEMBL19227962 0.72 NR3C2 (0.56) HTR2AHTR2CHTR2BNR3C2
SCHEMBL26061532 0.71 TRPM8 (0.34) TRPM8CXCR4
SCHEMBL12120626 0.70 GABRA1 (0.40) HTR2AHTR2CHTR2BNR3C2
SCHEMBL20694181 0.70 NR3C2 (0.42) CYP3A4NR3C2

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-9951053-B2 γ-diketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2018-04-24 — — US disclosed
US-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2017-09-14 — — 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-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 TRPM8 2154/4885CXCR4 418/4885HTR2A 2655/4885

“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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