SCHEMBL4351001

SCHEMBL4351001

CN(C)C1(C(NC(=O)c2cc(C(F)(F)F)nc3cc(Cl)ccc23)c2ccccc2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 9/20 0.38
IGF1R P08069 2/20 0.38
SLC6A9 P48067 4/20 0.37
SLC2A1 P11166 1/20 0.37
P2RX7 Q99572 1/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4359090 0.94 KMT2A (0.40) TACR3IGF1RSLC6A9SLC2A1P2RX7
SCHEMBL4357027 0.91 TACR3 (0.46) TACR3SLC2A1NPSR1MEN1KMT2A
SCHEMBL4361680 0.90 TACR3 (0.45) TACR3SLC2A1NPSR1MEN1KMT2A
SCHEMBL8263391 0.86 GAA (0.49) TACR3SLC6A9SLC2A1GAA
SCHEMBL4358870 0.82 TACR3 (0.43) TACR3SLC2A1TP53MAPT
SCHEMBL4363718 0.82 TACR3 (0.43) TACR3SLC2A1
SCHEMBL4354537 0.81 MEN1 (0.37) TACR3SLC6A9MEN1KMT2A
SCHEMBL4355380 0.81 SLC6A9 (0.38) TACR3SLC6A9SLC2A1GAAKMT2A
SCHEMBL8263977 0.80 GAA (0.50) TACR3GAAMAPTMEN1KMT2A
SCHEMBL4352784 0.80 TACR3 (0.42) TACR3SLC2A1MAPTNPSR1MEN1

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 3 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

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 2005/4885IGF1R 4241/4885SLC6A9 1038/4885

“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.