SCHEMBL4453413

SCHEMBL4453413

O=C(CC(c1ccccc1)c1ccccc1)NC1(C(=O)N2CCN(c3ccc(F)cc3F)CC2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
GRM5 P41594 2/20 0.46
TSHR P16473 1/20 0.46
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42
FAAH O00519 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
NPY2R P49146 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13671110 0.91 LMNA (0.44) LMNATSHRFAAHTRPV1NPY2R
SCHEMBL4453428 0.86 TSHR (0.56) LMNATSHRSMN1; SMN2CACNA2D1CACNA1B
SCHEMBL4453699 0.86 LMNA (0.53) LMNATSHRFAAHTRPV1SMN1; SMN2
SCHEMBL4248134 0.83 LMNA (0.64) LMNATSHRFAAHTRPV1SMN1; SMN2
SCHEMBL13620078 0.79 LMNA (0.57) LMNATSHRFAAHTRPV1SMN1; SMN2
SCHEMBL13671111 0.79 LMNA (0.54) LMNATSHRFAAHTRPV1SMN1; SMN2
SCHEMBL13671109 0.79 LMNA (0.56) LMNATSHRCACNA2D1CACNA1BCACNB1
SCHEMBL4450270 0.79 LMNA (0.56) LMNATSHRSMN1; SMN2HTR1ACACNA2D1
SCHEMBL4456715 0.78 LMNA (0.53) LMNATSHRCACNA2D1CACNA1BCACNB1
SCHEMBL4456969 0.78 TSHR (0.51) LMNATSHRFAAHTRPV1SMN1; 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 1219/4885GRM5 1543/4885TSHR 2927/4885

“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.