SCHEMBL4144804

SCHEMBL4144804

O=C1CCC(C(=O)N[C@H]2CCCN(c3ccc(OC(F)(F)F)cc3)C2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
SLC5A1 P13866 5/20 0.43
CHRM4 P08173 8/20 0.41
ROS1 P08922 2/20 0.41
ALK Q9UM73 2/20 0.41
PTGES O14684 2/20 0.41
NOTUM Q6P988 1/20 0.39
EPHX1 P07099 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
SCHEMBL4003530 0.84 CNR1 (0.49) EPHX2SLC5A1NOTUM
SCHEMBL4003524 0.84 CNR1 (0.49) EPHX2SLC5A1NOTUM
SCHEMBL4006871 0.76 KMT2A (0.59)
SCHEMBL4006881 0.76 KMT2A (0.59)
SCHEMBL12894868 0.75 NOTUM (0.50) EPHX2PTGESNOTUM
SCHEMBL23484542 0.74 MAP4K4 (0.49) EPHX2CHRM4EPHX1
SCHEMBL15106610 0.73 EPHX2 (0.45) EPHX2CHRM4PTGESNOTUMEPHX1
SCHEMBL15106609 0.73 EPHX2 (0.45) EPHX2CHRM4PTGESNOTUMEPHX1
SCHEMBL612468 0.72 ALDH1A1 (0.52) EPHX2NOTUM
SCHEMBL5950926 0.72 EPHX2 (0.42) EPHX2CHRM4EPHX1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101080226-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-11-28 CN claimed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US claimed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
CN-101080226-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-11-28 CN disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 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-20060122197-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 EPHX2 788/4885SLC5A1 90/4885CHRM4 3509/4885

“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.