SCHEMBL4895838

SCHEMBL4895838

CCCC[C@@H](C(=O)N(C)C)N(CC(C)(C)C)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.61
PGR P06401 2/20 0.61
S1PR1 P21453 1/20 0.39
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL4895835 1.00 AR (0.61) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4907347 0.93 AR (0.71) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4901392 0.93 AR (0.71) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4595465 0.90 AR (0.66) ARPGRS1PR1RXRARXRB
SCHEMBL4906362 0.87 AR (0.74) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4906358 0.87 AR (0.74) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4595653 0.83 AR (0.85) ARPGRS1PR1RXRARXRB
SCHEMBL4595656 0.83 AR (0.85) ARPGRS1PR1RXRARXRB
SCHEMBL4594538 0.83 AR (0.52) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4594539 0.83 AR (0.52) ARPGRS1PR1UBE2MDCUN1D1

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-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US claimed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 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-20080194536-A1 Cyanoarylamines EDNRA, CYP19A1, HSD17B11 AR 84/4885PGR 64/4885S1PR1 1327/4885

“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.