SCHEMBL4450270

SCHEMBL4450270

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.44
AKR1C3 P42330 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CACNA2D1 P54289 4/20 0.43
CACNB1 Q02641 4/20 0.43
CACNA1B Q00975 3/20 0.43
CACNA1C Q13936 3/20 0.43
CACNA1G O43497 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
GFER P55789 1/20 0.43
ATM Q13315 1/20 0.43
CACNA1A O00555 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
SCHEMBL4248134 0.93 LMNA (0.64) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL13620516 0.90 LMNA (0.45) LMNATSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL13671109 0.90 LMNA (0.56) LMNATSHRHTTCACNA2D1CACNB1
SCHEMBL4453428 0.90 TSHR (0.56) LMNATSHRALDH1A1SMN1; SMN2HTT
SCHEMBL13671111 0.88 LMNA (0.54) LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL13620078 0.88 LMNA (0.57) LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL4456715 0.87 LMNA (0.53) LMNATSHRAKR1C3CACNA2D1CACNB1
SCHEMBL4456969 0.85 TSHR (0.51) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL4453699 0.83 LMNA (0.53) LMNATSHRALDH1A1SMN1; SMN2HTT
SCHEMBL4450861 0.80 LMNA (0.46) LMNATSHRALDH1A1SMN1; SMN2

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 LMNA 1219/4885TSHR 2927/4885ALDH1A1 2493/4885

“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.