SCHEMBL6410212

SCHEMBL6410212

C=COc1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
GPR3 P46089 2/20 0.39
SYK P43405 1/20 0.38
KIF11 P52732 2/20 0.38
CETP P11597 1/20 0.38
DAO P14920 1/20 0.36
MPI P34949 1/20 0.36
XDH P47989 1/20 0.36
GALR1 P47211 1/20 0.36
EGFR P00533 1/20 0.35
BTK Q06187 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
SCHEMBL4252848 0.83 ALDH1A1 (0.36)
SCHEMBL3147185 0.83 GPR3 (0.50) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL2091935 0.81 CHRM2 (0.47) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL30214321 0.81 CHRM2 (0.47) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL7658787 0.79 MAPT (0.42) PIM1PIM2GPR3KIF11
SCHEMBL1526051 0.78 GPR3 (0.42) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL31381747 0.77 PIM1 (0.49) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL4293317 0.77 PIM1 (0.49) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL3146332 0.75 GPR3 (0.44) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL29139054 0.75 KMT2A (0.43) CHRM2CHRM1CHRM3EGFRBTK

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
EP-1551846-A1 AZABICYCLIC SPIROETHER DERIVATIVES AS RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
WO-2004031191-A1 AZABICYCLIC SPIROETHER DERIVATIVES AS RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
US-6479486-B2 ANTIDEPRESSANTS, ANALGESICS MERCK SHARP & DOHME LTD. (GB) 2002-11-12 US disclosed
US-20020147207-A1 AZABICYCLIC SPIROETHER DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-10-10 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-20020147207-A1 AZABICYCLIC SPIROETHER DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS GLRA1, GLRA2, CCKBR PIM1 3248/4885PIM2 2660/4885CHRM2 1272/4885

“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.