SCHEMBL4458161

SCHEMBL4458161

CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccccc3)CCCC2)cc(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.53
CTSK P43235 1/20 0.52
LMNA P02545 2/20 0.51
RAB9A P51151 1/20 0.51
CTSB P07858 4/20 0.48
CTSS P25774 4/20 0.48
MAPK14 Q16539 1/20 0.47
EGFR P00533 1/20 0.47
BDKRB1 P46663 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
USP2 O75604 1/20 0.44
MAOA P21397 1/20 0.43

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
SCHEMBL4455477 0.99 CTSK (0.54) CTSLCTSKLMNARAB9ACTSB
SCHEMBL7855775 0.91 CTSK (0.54) CTSLCTSKLMNARAB9ACTSB
SCHEMBL7856620 0.89 LMNA (0.48) CTSLCTSKLMNACTSBCTSS
SCHEMBL8373398 0.89 CYP3A4 (0.47) CTSLCTSKCTSBCTSSBDKRB1
SCHEMBL7856566 0.89 CTSL (0.51) CTSLCTSKLMNARAB9ACTSB
SCHEMBL7855748 0.89 CYP2C19 (0.53) CTSLCTSKLMNACTSBCTSS
SCHEMBL7856550 0.88 CTSK (0.52) CTSLCTSKLMNACTSBCTSS
SCHEMBL7855742 0.88 NR1H4 (0.56) CTSLCTSKRAB9ABDKRB1CYP3A4
SCHEMBL7857640 0.87 CYP3A4 (0.50) CTSLLMNARAB9ACTSBCTSS
SCHEMBL7856612 0.87 CTSK (0.57) CTSLCTSKCTSBCTSSBDKRB1

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 CTSL 972/4885CTSK 647/4885LMNA 1368/4885

“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.