SCHEMBL4355463

SCHEMBL4355463

CC1CCCN1C(C)(C)C(NC(=O)c1cc(C(F)(F)F)nc2ccccc12)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.48
SLC2A1 P11166 1/20 0.42
TRPV4 Q9HBA0 2/20 0.39
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR2 P21452 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL13631388 0.88 RAB9A (0.51) TACR3PREPRAB9AMEN1LMNA
SCHEMBL4355252 0.85 TACR3 (0.53) TACR3SLC2A1ADORA2AADORA1KDM4E
SCHEMBL4367561 0.79 SLC6A9 (0.41) TACR3SLC2A1PREPFAPADORA2A
SCHEMBL3244195 0.78 SLC6A9 (0.59)
SCHEMBL4356702 0.77 TACR3 (0.56) TACR3SLC2A1ADORA2AADORA1KDM4E
SCHEMBL3237083 0.77 POLB (0.42) KDM4ELMNA
SCHEMBL3242223 0.77 NPC1 (0.40) RAB9AKDM4ELMNAKMT2A
SCHEMBL13619226 0.76 TACR3 (0.53) TACR3SLC2A1ADORA2AADORA1LMNA
SCHEMBL4361695 0.76 TACR3 (0.53) TACR3SLC2A1ADORA2AADORA1TACR2
SCHEMBL3245182 0.76 HPGD (0.45) MEN1LMNAKMT2A

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
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 TACR3 2005/4885SLC2A1 1844/4885TRPV4 2181/4885

“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.