SCHEMBL4595491

SCHEMBL4595491

CCCN(CC1CC1)C(=O)[C@H](C)N(CC(F)(F)F)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.67
PGR P06401 4/20 0.67
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
MLYCD O95822 1/20 0.39
S1PR1 P21453 1/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4595489 1.00 AR (0.67) ARPGRUBE2MDCUN1D1MLYCD
SCHEMBL4897884 0.91 AR (0.77) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4897879 0.91 AR (0.77) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4595594 0.90 AR (0.55) ARPGRUBE2MDCUN1D1MLYCD
SCHEMBL4906038 0.89 AR (0.74) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4906033 0.89 AR (0.74) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4906028 0.85 AR (0.74) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL14086485 0.85 AR (0.74) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4903309 0.85 AR (0.80) ARPGRS1PR1
SCHEMBL4903315 0.85 AR (0.80) ARPGRS1PR1

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-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US claimed
EP-1871379-A2 CYANOARYLAMINES Smithkline Beecham Corporation (US) 2008-01-02 EP claimed
WO-2006113552-A2 CYANOARYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO 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 64/4885UBE2M 1170/4885

“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.