SCHEMBL4452561

SCHEMBL4452561

COc1ccc(CNC(=O)C2(NC(=O)CC(c3ccccc3)c3ccccc3)CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.55
TACR1 P25103 1/20 0.54
CTSK P43235 2/20 0.49
NPC1 O15118 3/20 0.49
LMNA P02545 2/20 0.48
FAAH O00519 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL13620515 0.91 CASR (0.52) CASRTACR1CTSKNPC1LMNA
SCHEMBL13671108 0.88 CYP3A4 (0.60) CTSKNPC1RAB9ATP53CTSB
SCHEMBL4459444 0.87 CTSB (0.47) TACR1CTSKLMNATRPV1ALDH1A1
SCHEMBL4074503 0.86 ALDH1A1 (0.47) TACR1NPC1LMNAFAAHRAB9A
SCHEMBL4456818 0.84 CTSB (0.45) TACR1CTSKALDH1A1CTSBCTSS
SCHEMBL4074277 0.79 HPGD (0.48) TACR1LMNAALDH1A1TP53CTSB
SCHEMBL13620307 0.78 BCHE (0.56) TACR1FAAHTRPV1ALDH1A1CTSB
SCHEMBL4450888 0.77 CTSB (0.42) CTSKLMNAALDH1A1TP53CTSB
SCHEMBL9392719 0.76 PLA2G1B (0.76) CASRTACR1NPC1LMNAPLA2G1B
SCHEMBL4450927 0.76 POLB (0.42) CTSKNPC1FAAHTRPV1RAB9A

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-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL 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-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B CASR 174/4885TACR1 340/4885CTSK 647/4885

“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.