SCHEMBL7848748

SCHEMBL7848748

CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.52
CTSL P07711 6/20 0.50
CTSB P07858 6/20 0.48
CTSS P25774 6/20 0.48
MAOB P27338 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TACR2 P21452 1/20 0.44
POLB P06746 2/20 0.44
USP2 O75604 1/20 0.44
MAPK14 Q16539 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 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
SCHEMBL7857584 0.89 CTSK (0.49) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL8372843 0.89 NPC1 (0.47) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL7855713 0.89 CTSL (0.53) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL7857731 0.88 EPHX2 (0.48) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL4455477 0.87 CTSK (0.54) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL4458161 0.86 CTSL (0.53) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL7856550 0.85 CTSK (0.52) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL7856566 0.84 CTSL (0.51) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL7859139 0.84 FAAH (0.52) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL7856652 0.83 NPC1 (0.50) SMN1; SMN2RAB9A

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 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.