SCHEMBL4355380

SCHEMBL4355380

CN(C)C1(C(NC(=O)c2cc(C(F)(F)F)nc3c(F)cccc23)c2ccccc2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.38
TACR3 P29371 9/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
GAA P10253 1/20 0.34
SLC2A1 P11166 1/20 0.34
PDE2A O00408 2/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL4354537 0.91 MEN1 (0.37) SLC6A9TACR3RAB9AKMT2ATRPV1
SCHEMBL4357027 0.88 TACR3 (0.46) TACR3KMT2ASLC2A1
SCHEMBL4361680 0.87 TACR3 (0.45) TACR3KMT2ASLC2A1
SCHEMBL8263391 0.85 GAA (0.49) SLC6A9TACR3GAASLC2A1
SCHEMBL4359090 0.82 KMT2A (0.40) SLC6A9TACR3KMT2AGAASLC2A1
SCHEMBL4351001 0.81 TACR3 (0.38) SLC6A9TACR3KMT2AGAASLC2A1
SCHEMBL4358870 0.79 TACR3 (0.43) TACR3LMNASLC2A1
SCHEMBL4363718 0.79 TACR3 (0.43) TACR3SLC2A1
SCHEMBL4356096 0.79 KDM4E (0.41) SLC6A9TACR3RAB9A
SCHEMBL4355261 0.77 CXCR5 (0.44) SLC6A9TACR3LMNAKMT2A

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
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
WO-2006067430-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-06-29 WO 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 SLC6A9 1038/4885TACR3 2005/4885LMNA 4046/4885

“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.