SCHEMBL4352703

SCHEMBL4352703

CN(C)C1(C(NC(=O)c2ccnc3ccccc23)c2ccccc2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 9/20 0.49
FAP Q12884 8/20 0.49
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
TACR3 P29371 3/20 0.42
SLC6A9 P48067 1/20 0.42
CCR1 P32246 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL4367407 0.94 NSD2 (0.48) PREPFAPITGB1ITGA4TACR3
SCHEMBL4356706 0.86 LMNA (0.51) PREPFAPTACR3SLC6A9
SCHEMBL4365704 0.85 SLC6A9 (0.41) PREPFAPITGB1ITGA4TACR3
SCHEMBL4355716 0.84 SMN1; SMN2 (0.53) TACR3
SCHEMBL8263977 0.83 GAA (0.50) TACR3
SCHEMBL4355261 0.81 CXCR5 (0.44) TACR3SLC6A9
SCHEMBL4356991 0.81 SCN9A (0.49) TACR3SLC6A9
SCHEMBL4356697 0.81 SLC6A9 (0.41) TACR3SLC6A9
SCHEMBL4356096 0.81 KDM4E (0.41) TACR3SLC6A9
SCHEMBL4357027 0.81 TACR3 (0.46) TACR3

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 PREP 323/4885FAP 2123/4885ITGB1 4485/4885

“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.