SCHEMBL7858975

SCHEMBL7858975

COc1c(C(C)(C)C)cc(C(=O)NC2(C(=O)N3CCOCC3)CCCCC2)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 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
SCHEMBL7858979 0.91 MEN1 (0.49) CTDSP1MEN1KMT2AALDH1A1CTSS
SCHEMBL7848783 0.88 CTSB (0.42) MEN1KMT2AALDH1A1CTSLCTSB
SCHEMBL7856563 0.85 LMNA (0.52) CTDSP1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL7856658 0.82 CTDSP1 (0.46) CTDSP1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL7859100 0.81 MAOB (0.46) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL4400722 0.81 LPAR1 (0.42) CTSKTP53
SCHEMBL7859110 0.81 CTDSP1 (0.44) CTDSP1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL7856646 0.80 PKM (0.54) CTSLCTSBCTSSCTSKLMNA
SCHEMBL7856619 0.79 CTSK (0.39) CTSLCTSBCTSSCTSKTP53
SCHEMBL4389391 0.76 FAAH (0.52) CYP3A4CYP2C19ALDH1A1CTSLCTSK

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 3 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

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 CTDSP1 3006/4885CYP3A4 1644/4885CYP2C19 2621/4885

“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.