SCHEMBL4455477

SCHEMBL4455477

CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.54
CTSL P07711 6/20 0.52
CTSB P07858 6/20 0.50
CTSS P25774 6/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 1/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
MAPK14 Q16539 1/20 0.46
BDKRB1 P46663 1/20 0.46
EGFR P00533 1/20 0.46
POLB P06746 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 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
SCHEMBL4458161 0.99 CTSL (0.53) CTSKCTSLCTSBCTSSLMNA
SCHEMBL7855775 0.92 CTSK (0.54) CTSKCTSLCTSBCTSSLMNA
SCHEMBL7856620 0.90 LMNA (0.48) CTSKCTSLCTSBCTSSLMNA
SCHEMBL7855748 0.90 CYP2C19 (0.53) CTSKCTSLCTSBCTSSLMNA
SCHEMBL8373398 0.90 CYP3A4 (0.47) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL7856550 0.89 CTSK (0.52) CTSKCTSLCTSBCTSSLMNA
SCHEMBL7856612 0.89 CTSK (0.57) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL7856649 0.88 EPHX2 (0.57) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL7859022 0.88 NR1H4 (0.55) CTSKCTSLCTSBCTSSRAB9A
SCHEMBL7848745 0.88 CTSL (0.55) CTSKCTSLCTSBCTSSCYP3A4

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
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 CTSK 647/4885CTSL 972/4885CTSB 705/4885

“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.