SCHEMBL4955085

SCHEMBL4955085

O=C(O)N[C@@H]1CCN(C(=O)C(c2cccc(OC(F)(F)F)c2)C2CCCCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.43
NOTUM Q6P988 1/20 0.42
EPHX2 P34913 3/20 0.41
EPHX1 P07099 2/20 0.41
GLS O94925 5/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CXCR3 P49682 1/20 0.40
C3AR1 Q16581 1/20 0.40
CCR2 P41597 1/20 0.39
F2R P25116 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL4847465 1.00 CHRM3 (0.43) CHRM3NOTUMEPHX2EPHX1GLS
SCHEMBL4117389 0.95 CHRM3 (0.42) CHRM3NOTUMEPHX2EPHX1GLS
SCHEMBL4847784 0.95 CHRM3 (0.42) CHRM3NOTUMEPHX2EPHX1GLS
SCHEMBL4101320 0.85 CHRM3 (0.45) CHRM3EPHX2EPHX1C3AR1
SCHEMBL3955877 0.84 SLC6A2 (0.46) NOTUMEPHX2GLSHSD11B1
SCHEMBL3961750 0.84 SLC6A2 (0.46) NOTUMEPHX2GLSHSD11B1
SCHEMBL4758293 0.82 CHRM3 (0.47) CHRM3C3AR1
SCHEMBL4114787 0.82 EPHX2 (0.54) CHRM3EPHX2EPHX1
SCHEMBL3952527 0.80 SLC6A2 (0.45) NOTUM
SCHEMBL3955180 0.80 SLC6A2 (0.45) NOTUM

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-7419980-B2 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2008-09-02 US disclosed
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2005-09-01 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-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use COMT, MAOA, HTR3A CHRM3 853/4885NOTUM 2347/4885EPHX2 1444/4885

“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.