SCHEMBL3488871

SCHEMBL3488871

Cc1nn(CCC(C)O)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.41
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
SLC34A1 Q06495 1/20 0.36
MAPT P10636 1/20 0.36
NR3C2 P08235 4/20 0.35
PGR P06401 3/20 0.35
TGFBR1 P36897 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
GRM5 P41594 1/20 0.34
MAPK14 Q16539 1/20 0.34
TGFBR2 P37173 1/20 0.34
AR P10275 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
SCHEMBL3490106 0.90 ALDH1A1 (0.37) ALDH1A1GAASLC34A1MAPTNR3C2
SCHEMBL3489455 0.90 ALDH1A1 (0.38) CSNK2A1ALDH1A1GAASLC34A1MAPT
SCHEMBL3488467 0.88 ALDH1A1 (0.37) ALDH1A1GAASLC34A1MAPTNR3C2
SCHEMBL3488802 0.87 MAPT (0.36) ALDH1A1GAASLC34A1MAPTNR3C2
SCHEMBL3488964 0.85 MAPK14 (0.42) ALDH1A1GAASLC34A1MAPTNR3C2
SCHEMBL3488809 0.83 ALDH1A1 (0.39) ALDH1A1GAASLC34A1MAPTNR3C2
SCHEMBL3488750 0.83 PGR (0.47) ALDH1A1GAASLC34A1MAPTNR3C2
SCHEMBL3488225 0.82 NR3C2 (0.49) CSNK2A1ALDH1A1GAASLC34A1MAPT
SCHEMBL3488743 0.82 PGR (0.47) ALDH1A1GAASLC34A1MAPTNR3C2
SCHEMBL3488055 0.82 SLC2A1 (0.39) ALDH1A1GAASLC34A1MAPTNR3C2

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-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 CSNK2A1 2540/4885ALDH1A1 1704/4885GAA 4647/4885

“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.