SCHEMBL4400722

SCHEMBL4400722

COc1c(C(C)(C)C)cc(C(=O)NC2(C(=O)O)CCCCC2)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.42
TNFRSF1A P19438 2/20 0.41
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.39
GPR132 Q9UNW8 1/20 0.39
CTSK P43235 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7856619 0.88 CTSK (0.39) TNFRSF1ATP53CTSK
SCHEMBL4391183 0.85 MAOB (0.40) LPAR1TNFRSF1ACNR2GPR132CTSK
SCHEMBL7858979 0.84 MEN1 (0.49) TNFRSF1ATP53CTSK
SCHEMBL4389391 0.84 FAAH (0.52) TNFRSF1ACTSK
SCHEMBL7848783 0.82 CTSB (0.42) TP53
SCHEMBL7857584 0.81 CTSK (0.49) CTSKL3MBTL1
SCHEMBL7858975 0.81 CTDSP1 (0.46) TP53CTSK
SCHEMBL4391458 0.80 MEN1 (0.44) LPAR1CNR2GPR132CTSK
SCHEMBL7856622 0.79 NPC1 (0.47) TNFRSF1ATP53CTSKL3MBTL1
SCHEMBL7856563 0.79 LMNA (0.52) TNFRSF1A

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
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1I LPAR1 1990/4885TNFRSF1A 4433/4885CNR2 169/4885

“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.