SCHEMBL469173

SCHEMBL469173

CCN[C@H](C)c1ccc(F)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
MAPK1 P28482 1/20 0.41
JAK2 O60674 8/20 0.40
JAK3 P52333 6/20 0.40
NTRK1 P04629 6/20 0.38
GRK6 P43250 3/20 0.37
AURKA O14965 2/20 0.36
IGF1R P08069 1/20 0.36
CDK2 P24941 2/20 0.36
MUSK O15146 1/20 0.36
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
FGFR3 P22607 1/20 0.36
CCNE1 P24864 1/20 0.36
FLT3 P36888 1/20 0.36
PTK2B Q14289 1/20 0.36
AURKB Q96GD4 1/20 0.36
ALK Q9UM73 1/20 0.35
TRPV3 Q8NET8 1/20 0.35

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
SCHEMBL24468388 1.00 APLNR (0.43) APLNRHDAC6MAPK1JAK2JAK3
SCHEMBL30841912 1.00 APLNR (0.43) APLNRHDAC6MAPK1JAK2JAK3
SCHEMBL17445188 0.81 APLNR (0.47) APLNRHDAC6JAK2JAK3NTRK1
SCHEMBL24468398 0.81 APLNR (0.47) APLNRHDAC6JAK2JAK3NTRK1
SCHEMBL29106431 0.79 CACNA1I (0.36) HDAC6KCNH2
SCHEMBL24468294 0.79 CACNA1I (0.36) HDAC6KCNH2
SCHEMBL30707764 0.79 L3MBTL1 (0.38) KCNH2
SCHEMBL24468425 0.78 PDE2A (0.44) MAPK1TRPV3
SCHEMBL10236974 0.78 PDE2A (0.44) MAPK1TRPV3
SCHEMBL31136292 0.78 PDE2A (0.44) MAPK1TRPV3

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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 APLNR 175/4885HDAC6 2816/4885MAPK1 2759/4885

“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.