SCHEMBL6406898

SCHEMBL6406898

O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.52
PTGES O14684 3/20 0.48
PTGS2 P35354 3/20 0.48
MERTK Q12866 9/20 0.45
AXL P30530 7/20 0.45
HSD11B1 P28845 5/20 0.43
MET P08581 1/20 0.42
TYRO3 Q06418 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC4 P56524 1/20 0.41

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
SCHEMBL6408651 1.00 P2RX7 (0.52) P2RX7PTGESPTGS2MERTKAXL
SCHEMBL4965692 0.98 P2RX7 (0.50) P2RX7PTGESPTGS2MERTKAXL
SCHEMBL14534809 0.75 MERTK (0.53) P2RX7PTGESPTGS2MERTKAXL
SCHEMBL13324324 0.75 P2RX7 (0.52) P2RX7PTGESPTGS2MERTKAXL
SCHEMBL12629181 0.75 P2RX7 (0.52) P2RX7PTGESPTGS2MERTKAXL
SCHEMBL6408662 0.75 HDAC4 (0.52) HSD11B1ALDH1A1SMN1; SMN2HDAC4
SCHEMBL27701237 0.75 KCNA5 (0.53) P2RX7PTGESPTGS2MERTKAXL
SCHEMBL3144414 0.74 PTGES (0.46) P2RX7PTGESPTGS2MERTKAXL
SCHEMBL6406684 0.74 HDAC4 (0.51) HSD11B1ALDH1A1HDAC4
SCHEMBL4974153 0.74 HDAC4 (0.51) HSD11B1ALDH1A1HDAC4

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-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 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-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 P2RX7 2799/4885PTGES 424/4885PTGS2 464/4885

“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.