SCHEMBL4456969

SCHEMBL4456969

Cc1ccc(N2CCN(C(=O)C3(NC(=O)CC(c4ccccc4)c4ccccc4)CCCCC3)CC2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTR7 P34969 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
BRD4 O60885 1/20 0.39
FAAH O00519 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ALPG P10696 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL13671109 0.89 LMNA (0.56) TSHRLMNA
SCHEMBL4248134 0.88 LMNA (0.64) TSHRLMNAALDH1A1GAAMAPT
SCHEMBL13671111 0.85 LMNA (0.54) TSHRLMNAALDH1A1FAAHTRPV1
SCHEMBL4453428 0.85 TSHR (0.56) TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL4450270 0.85 LMNA (0.56) TSHRLMNAALDH1A1MAPTHTR7
SCHEMBL4453699 0.85 LMNA (0.53) TSHRLMNAALDH1A1MAPTFAAH
SCHEMBL13620078 0.83 LMNA (0.57) TSHRLMNAALDH1A1FAAHTRPV1
SCHEMBL4456715 0.83 LMNA (0.53) TSHRLMNA
SCHEMBL4456722 0.81 TSHR (0.59) TSHRLMNAALDH1A1MAPTFAAH
SCHEMBL13671110 0.80 LMNA (0.44) TSHRLMNAALDH1A1MAPTBRD4

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 TSHR 2927/4885LMNA 1219/4885ALDH1A1 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.