SCHEMBL4074277

SCHEMBL4074277

COC(=O)C1(NC(=O)CC(c2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 2/20 0.43
TACR1 P25103 1/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
MAPT P10636 3/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4079580 0.86 LMNA (0.45) HPGDLMNAPOLBHTTTACR1
SCHEMBL28640271 0.80 MAPT (0.46) HPGDMAPTCTSBCTSSSMN1; SMN2
SCHEMBL1839212 0.80 GRM7 (0.43) LMNAPOLBMAPTKMT2ACYP3A4
SCHEMBL1838961 0.80 GRM7 (0.43) LMNAPOLBMAPTKMT2ACYP3A4
SCHEMBL1838964 0.80 GRM7 (0.43) LMNAPOLBMAPTKMT2ACYP3A4
SCHEMBL4452561 0.79 CASR (0.55) LMNAHTTTACR1CYP2D6CYP2C9
SCHEMBL13671108 0.77 CYP3A4 (0.60) HPGDPOLBCYP2C9CYP2C19MAPT
SCHEMBL13620515 0.77 CASR (0.52) LMNAHTTTACR1CYP2D6CYP2C9
SCHEMBL1841517 0.76 CTSK (0.51) LMNAPOLBHTTCTSBCTSS
SCHEMBL4459444 0.75 CTSB (0.47) HPGDLMNAPOLBHTTTACR1

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 5 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
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 HPGD 2041/4885LMNA 1219/4885POLB 2917/4885

“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.