SCHEMBL103213

SCHEMBL103213

CC=Cc1cc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.38
CHRM2 P08172 3/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM4 P08173 8/20 0.37
MAPT P10636 2/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
GSK3B P49841 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MAPK14 Q16539 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
SCHEMBL103212 1.00 PRMT1 (0.38) PRMT1CHRM2CHRM1CHRM3CHRM5
SCHEMBL103214 1.00 PRMT1 (0.38) PRMT1CHRM2CHRM1CHRM3CHRM5
SCHEMBL104178 0.88 NPC1 (0.43) PRMT1MAPTHTR1ADRD2HTR7
SCHEMBL104179 0.88 NPC1 (0.43) PRMT1MAPTHTR1ADRD2HTR7
SCHEMBL104180 0.88 NPC1 (0.43) PRMT1MAPTHTR1ADRD2HTR7
SCHEMBL103346 0.87 GSK3B (0.40) PRMT1CHRM4MAPTHTR1ADRD2
SCHEMBL103345 0.87 GSK3B (0.40) PRMT1CHRM4MAPTHTR1ADRD2
SCHEMBL103483 0.79 MEN1 (0.42) PRMT1MAPTDRD2
SCHEMBL106060 0.79 L3MBTL1 (0.37) MAPT
SCHEMBL3593522 0.76 HPGD (0.34) MAPT

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-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 PRMT1 1793/4885CHRM2 226/4885CHRM1 210/4885

“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.