SCHEMBL4363718

SCHEMBL4363718

CN(Cc1ccccc1)C1(C(NC(=O)c2cc(C(F)(F)F)nc3ccccc23)c2ccccc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.43
SLC2A1 P11166 1/20 0.41
TACR2 P21452 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL4357027 0.90 TACR3 (0.46) TACR3SLC2A1TACR2ADORA2AADORA1
SCHEMBL8264995 0.90 ADORA2A (0.38) TACR3SLC2A1ADORA2AADORA1
SCHEMBL4361680 0.89 TACR3 (0.45) TACR3SLC2A1TACR2ADORA2AADORA1
SCHEMBL4358870 0.87 TACR3 (0.43) TACR3SLC2A1TACR2ADORA2AADORA1
SCHEMBL3038770 0.82 TACR3 (0.46) TACR3SLC2A1TACR2
SCHEMBL4351001 0.82 TACR3 (0.38) TACR3SLC2A1
SCHEMBL8263391 0.81 GAA (0.49) TACR3SLC2A1ADORA2AADORA1
SCHEMBL4352784 0.81 TACR3 (0.42) TACR3SLC2A1TACR2ADORA2AADORA1
SCHEMBL4359090 0.81 KMT2A (0.40) TACR3SLC2A1ADORA2AADORA1
SCHEMBL3030178 0.80 SLC2A1 (0.43) TACR3SLC2A1TACR2

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 2005/4885SLC2A1 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.