SCHEMBL6334161

SCHEMBL6334161

Cc1ccccc1-c1cc[c]c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
PDK2 Q15119 1/20 0.43
MCL1 Q07820 1/20 0.40
HTR7 P34969 3/20 0.37
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
TRPA1 O75762 2/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
SDHB P21912 1/20 0.35
HTR1A P08908 1/20 0.34
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
JAK3 P52333 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL9004952 0.82 PTGS1 (0.34) ARPDK2
SCHEMBL2431244 0.81 PDK2 (0.42) ARPDK2TRPA1BACE1ALOX5AP
SCHEMBL6668303 0.81 AR (0.51) ARTRPA1BACE1ALOX5APFEN1
SCHEMBL3583637 0.80 AR (0.50) ARPDK2TRPA1BACE1JAK3
SCHEMBL15637194 0.80 ALDH1A1 (0.42) ARPDK2
SCHEMBL15637230 0.80 AR (0.53) ARPDK2HTR7
SCHEMBL1275074 0.78 MCL1 (0.42) MCL1CA12CA9
SCHEMBL8125021 0.77 MCL1 (0.42) ARPDK2MCL1HTR7GRIA1
SCHEMBL1068350 0.77 KIF11 (0.43) PDK2MCL1
SCHEMBL374592 0.77 MCL1 (0.45) ARPDK2MCL1HTR7GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936631-B2 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2005-08-30 US claimed
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
US-6657064-B2 For use as analgesics GRUENENTHAL GMBH (DE) 2003-12-02 US claimed
US-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2002-12-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 AR 1879/4885PDK2 2079/4885MCL1 2520/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 AR 1879/4885PDK2 2079/4885MCL1 2520/4885

“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.