SCHEMBL4459444

SCHEMBL4459444

O=C(CC(c1ccccc1)c1ccccc1)NC1(C(=O)NCc2ccc(O)cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ADRB2 P07550 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 2/20 0.44
USP2 O75604 1/20 0.44
TACR1 P25103 1/20 0.43
CTSL P07711 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL13671108 0.90 CYP3A4 (0.60) CTSBCTSSCYP3A4CYP2C9CYP2C19
SCHEMBL4074503 0.90 ALDH1A1 (0.47) CTSBCTSSCYP3A4CYP2C9CYP2C19
SCHEMBL4452561 0.87 CASR (0.55) CTSBCTSSCYP3A4CYP2C9CYP2C19
SCHEMBL4456818 0.86 CTSB (0.45) CTSBCTSSCYP3A4CYP2C9CYP2C19
SCHEMBL13620307 0.81 BCHE (0.56) CTSBCTSSCYP3A4CYP2C9CYP2C19
SCHEMBL4079580 0.80 LMNA (0.45) CTSBCTSSCYP3A4CYP2C9CYP2C19
SCHEMBL4447443 0.78 ALDH1A1 (0.45) CTSBCTSSALDH1A1HTTPOLB
SCHEMBL4450888 0.78 CTSB (0.42) CTSBCTSSCYP3A4CYP2C9CYP2C19
SCHEMBL4456920 0.78 P2RX7 (0.41) CTSBCTSSALDH1A1POLBUSP2
SCHEMBL4450927 0.78 POLB (0.42) CTSBCTSSCYP3A4CYP2C9CYP2C19

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 CTSB 419/4885CTSS 593/4885CYP3A4 1974/4885

“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.