SCHEMBL13619216

SCHEMBL13619216

O=C(NC(c1ccccc1)C1(N2CCCC2)CCCC1)c1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 13/20 0.44
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SLC2A1 P11166 1/20 0.40
SLC6A9 P48067 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TACR2 P21452 2/20 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
SCHEMBL4367561 0.85 SLC6A9 (0.41) TACR3ADORA2AADORA1SLC2A1SLC6A9
SCHEMBL4357027 0.83 TACR3 (0.46) TACR3ADORA2AADORA1SLC2A1CYP1A2
SCHEMBL4361680 0.82 TACR3 (0.45) TACR3ADORA2AADORA1SLC2A1CYP1A2
SCHEMBL4358870 0.80 TACR3 (0.43) TACR3ADORA2AADORA1SLC2A1TACR2
SCHEMBL1349793 0.78 SLC6A9 (0.52) SLC6A9
SCHEMBL3241393 0.78 SLC6A9 (0.49) SLC6A9
SCHEMBL4363718 0.78 TACR3 (0.43) TACR3ADORA2AADORA1SLC2A1TACR2
SCHEMBL4355252 0.77 TACR3 (0.53) TACR3ADORA2AADORA1SLC2A1CYP1A2
SCHEMBL12132751 0.76 CTSL (0.47)
SCHEMBL3244222 0.76 SLC6A9 (0.65) SLC6A9

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 2 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

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 2005/4885ADORA2A 717/4885ADORA1 186/4885

“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.