SCHEMBL4358876

SCHEMBL4358876

CN(C)C(C)(CO[Si](C)(C)C(C)(C)C)C(NC(=O)c1cc(C(F)(F)F)nc2ccccc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 17/20 0.47
SLC2A1 P11166 1/20 0.40
TACR2 P21452 5/20 0.39
TACR1 P25103 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL13619226 0.86 TACR3 (0.53) TACR3SLC2A1TACR2ADORA2AADORA1
SCHEMBL4361695 0.86 TACR3 (0.53) TACR3SLC2A1TACR2CYP1A2CYP3A4
SCHEMBL4356702 0.82 TACR3 (0.56) TACR3SLC2A1TACR2TSHRKDM4E
SCHEMBL13619223 0.81 TACR3 (0.54) TACR3SLC2A1TACR2TSHRKDM4E
SCHEMBL3239756 0.79 CTSS (0.48)
SCHEMBL3243514 0.77 UTS2R (0.40) MEN1KMT2A
SCHEMBL3239589 0.76 L3MBTL1 (0.40)
SCHEMBL4355252 0.75 TACR3 (0.53) TACR3SLC2A1TACR2TSHRKDM4E
SCHEMBL4363718 0.72 TACR3 (0.43) TACR3SLC2A1TACR2ADORA2AADORA1
SCHEMBL4357027 0.72 TACR3 (0.46) TACR3SLC2A1TACR2TSHRKDM4E

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-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 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-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES PNMT, SLC18A2, COMT TACR3 2005/4885SLC2A1 1844/4885TACR2 435/4885

“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.