SCHEMBL4400570

SCHEMBL4400570

CC(C)(C)OC(=O)NC1(C(=O)NCc2ccccc2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.56
CTSS P25774 2/20 0.56
CTSL P07711 2/20 0.56
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 2/20 0.47
CTSK P43235 2/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8261372 0.88 CYP3A4 (0.48) CTSBCTSSCTSLCYP3A4CYP2C9
SCHEMBL14273893 0.88 HDAC1 (0.51) CTSBCTSSCTSLCA12CA1
SCHEMBL1403874 0.85 CTSB (0.50) CTSBCTSSCTSLCYP2C9CYP2C19
SCHEMBL19033759 0.84 CYP2C19 (0.54) CYP3A4CYP2C9CYP2C19SMN1; SMN2NAMPT
SCHEMBL10709727 0.82 POLB (0.49) CTSBCTSSCTSLCYP2C9CYP2C19
SCHEMBL550418 0.81 CTSL (0.56) CTSBCTSSCTSLCA12CA1
SCHEMBL7528358 0.81 CTSL (0.56) CTSBCTSSCTSLCA12CA1
SCHEMBL4823158 0.79 CTSS (0.54) CTSBCTSSCTSLCA12CA1
SCHEMBL7756882 0.79 CTSB (0.56) CTSBCTSSCTSLCYP3A4CYP2C9
SCHEMBL5782255 0.78 BDKRB1 (0.66)

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 5 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
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 CTSB 705/4885CTSS 783/4885CTSL 972/4885

“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.