SCHEMBL7848745

SCHEMBL7848745

CN(C)c1ccc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.55
CTSS P25774 7/20 0.55
CTSB P07858 6/20 0.55
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CTSK P43235 2/20 0.43
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
CA2 P00918 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
TP53 P04637 1/20 0.41
BDKRB1 P46663 1/20 0.40

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
SCHEMBL7857680 0.90 CTSL (0.53) CTSLCTSSCTSBCYP3A4CYP2C19
SCHEMBL4455477 0.88 CTSK (0.54) CTSLCTSSCTSBCYP3A4CYP2C19
SCHEMBL7855713 0.88 CTSL (0.53) CTSLCTSSCTSBCYP3A4CYP2C19
SCHEMBL7856620 0.87 LMNA (0.48) CTSLCTSSCTSBCYP3A4CYP2C19
SCHEMBL8373398 0.87 CYP3A4 (0.47) CTSLCTSSCTSBCYP3A4CYP2C19
SCHEMBL7855748 0.87 CYP2C19 (0.53) CTSLCTSSCTSBCYP3A4CYP2C19
SCHEMBL4458161 0.87 CTSL (0.53) CTSLCTSSCTSBCYP3A4CYP2C19
SCHEMBL7856649 0.85 EPHX2 (0.57) CTSLCTSSCTSBCYP3A4CYP2C19
SCHEMBL7859022 0.85 NR1H4 (0.55) CTSLCTSSCTSBCYP3A4CYP2C19
SCHEMBL7848771 0.85 CTSL (0.51) CTSLCTSSCTSBCYP3A4CYP2C19

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 CTSL 972/4885CTSS 783/4885CTSB 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.