SCHEMBL13671111

SCHEMBL13671111

CC(F)c1ccc(N2CCN(C(=O)C3(NC(=O)CC(c4ccccc4)c4ccccc4)CCCCC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
CNR2 P34972 1/20 0.39
RORC P51449 1/20 0.39
ALPG P10696 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CTDSP1 Q9GZU7 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
SCHEMBL4248134 0.91 LMNA (0.64) LMNATSHRFAAHTRPV1ALPG
SCHEMBL13671109 0.90 LMNA (0.56) LMNATSHR
SCHEMBL4453428 0.90 TSHR (0.56) LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL13620078 0.88 LMNA (0.57) LMNATSHRFAAHTRPV1CNR2
SCHEMBL4450270 0.88 LMNA (0.56) LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL4456715 0.87 LMNA (0.53) LMNATSHRCTDSP1
SCHEMBL4456969 0.85 TSHR (0.51) LMNATSHRFAAHTRPV1ALPG
SCHEMBL4453699 0.83 LMNA (0.53) LMNATSHRFAAHTRPV1SMN1; SMN2
SCHEMBL4450861 0.81 LMNA (0.46) LMNATSHRFAAHTRPV1ALPG
SCHEMBL4456722 0.80 TSHR (0.59) LMNATSHRFAAHTRPV1ALPG

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 1 patent. 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

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 2927/4885FAAH 365/4885

“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.