SCHEMBL13620307

SCHEMBL13620307

O=C(CC(c1ccccc1)c1ccccc1)NC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.56
TACR1 P25103 5/20 0.55
BACE1 P56817 1/20 0.51
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR3C2 P08235 1/20 0.47
FAAH O00519 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPK14 Q16539 1/20 0.44
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL4074503 0.82 ALDH1A1 (0.47) TACR1CYP3A4CYP2C9CYP2C19FAAH
SCHEMBL4459444 0.81 CTSB (0.47) BCHETACR1CYP3A4CYP2C9CYP2C19
SCHEMBL13671108 0.80 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19L3MBTL1USP2
SCHEMBL4452561 0.78 CASR (0.55) TACR1CYP3A4CYP2C9CYP2C19FAAH
SCHEMBL2879245 0.77 TACR1 (0.65) TACR1CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL4456818 0.77 CTSB (0.45) TACR1CYP3A4CYP2C9CYP2C19USP2
SCHEMBL4392920 0.77 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19MAPK14CTSB
SCHEMBL4456920 0.76 P2RX7 (0.41) FAAHTRPV1USP2POLBCTSB
SCHEMBL8373378 0.76 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19MAPK14CTSB
SCHEMBL7856629 0.75 CYP3A4 (0.48) BACE1CYP3A4CYP2C9CYP2C19FAAH

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-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

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 BCHE 1387/4885TACR1 340/4885BACE1 676/4885

“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.