SCHEMBL4456715

SCHEMBL4456715

O=C(CC(c1ccccc1)c1ccccc1)NC1(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
CACNA1A O00555 2/20 0.46
CACNA2D1 P54289 2/20 0.46
CACNB1 Q02641 2/20 0.46
CACNA1B Q00975 1/20 0.46
CACNA1C Q13936 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
AKR1C3 P42330 1/20 0.42
CCR2 P41597 1/20 0.41
CHRM2 P08172 1/20 0.41
TACR1 P25103 1/20 0.41
CYP3A4 P08684 3/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL13620294 0.91 CACNA2D1 (0.45) LMNATSHRCACNA1ACACNA2D1CACNB1
SCHEMBL4248134 0.90 LMNA (0.64) LMNATSHR
SCHEMBL4453428 0.89 TSHR (0.56) LMNATSHRCACNA2D1CACNB1CACNA1B
SCHEMBL13671111 0.87 LMNA (0.54) LMNATSHRCTDSP1
SCHEMBL13620078 0.87 LMNA (0.57) LMNATSHRCTDSP1
SCHEMBL13671109 0.87 LMNA (0.56) LMNATSHRCACNA2D1CACNB1CACNA1B
SCHEMBL4450270 0.87 LMNA (0.56) LMNATSHRCACNA1ACACNA2D1CACNB1
SCHEMBL4456969 0.83 TSHR (0.51) LMNATSHR
SCHEMBL4453699 0.83 LMNA (0.53) LMNATSHRCYP3A4MAPK1
SCHEMBL4450861 0.80 LMNA (0.46) LMNATSHRCTDSP1

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
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 LMNA 1219/4885TSHR 2927/4885CACNA1A 19/4885

“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.