SCHEMBL7857643

SCHEMBL7857643

CC(C)(C#N)c1cc(C(=O)NC2(C(=O)NCc3cccc(C(F)(F)F)c3)CCCCC2)cc(C(C)(C)C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.47
CTSS P25774 6/20 0.47
CTSB P07858 5/20 0.47
CTSK P43235 3/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PLA2G1B P04054 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
CYP2C9 P11712 1/20 0.45
MLYCD O95822 1/20 0.44
BDKRB1 P46663 1/20 0.43
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41

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
SCHEMBL7855810 0.95 CTSL (0.52) CTSLCTSSCTSBCTSKCYP3A4
SCHEMBL4392920 0.90 CYP3A4 (0.49) CTSLCTSSCTSBCTSKCYP3A4
SCHEMBL8373378 0.89 CYP3A4 (0.48) CTSLCTSSCTSBCTSKCYP3A4
SCHEMBL7856612 0.89 CTSK (0.57) CTSLCTSSCTSBCTSKCYP3A4
SCHEMBL7857640 0.89 CYP3A4 (0.50) CTSLCTSSCTSBCYP3A4CYP2C19
SCHEMBL7856669 0.88 CTSL (0.45) CTSLCTSSCTSBCTSKCYP3A4
SCHEMBL13636968 0.87 CYP3A4 (0.45) CTSLCTSSCTSBCTSKCYP3A4
SCHEMBL8373381 0.86 CTSK (0.53) CTSLCTSSCTSBCTSKCYP3A4
SCHEMBL7855775 0.86 CTSK (0.54) CTSLCTSSCTSBCTSKCYP3A4
SCHEMBL8376780 0.86 CTSL (0.47) CTSLCTSSCTSBCTSKCYP3A4

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 2 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

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.