SCHEMBL4452309

SCHEMBL4452309

Cc1ccccc1C(CC(=O)NC1(C(=O)N2CCN(C(C)(C)C)CC2)CCCCC1)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
ALPG P10696 1/20 0.39
ALDH1A1 P00352 2/20 0.39
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL4450861 0.88 LMNA (0.46) TSHRLMNASMN1; SMN2ALPGALDH1A1
SCHEMBL4456722 0.87 TSHR (0.59) TSHRLMNASMN1; SMN2ALPGALDH1A1
SCHEMBL13671109 0.73 LMNA (0.56) TSHRLMNA
SCHEMBL4456969 0.73 TSHR (0.51) TSHRLMNASMN1; SMN2ALPGALDH1A1
SCHEMBL4248134 0.72 LMNA (0.64) TSHRLMNASMN1; SMN2ALPGALDH1A1
SCHEMBL13671111 0.69 LMNA (0.54) TSHRLMNASMN1; SMN2ALPGALDH1A1
SCHEMBL2795495 0.69 TDP1 (0.46) TSHRALDH1A1MAPT
SCHEMBL4453428 0.69 TSHR (0.56) TSHRLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL4450270 0.69 LMNA (0.56) TSHRLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL4450869 0.69 LMNA (0.44) TSHRLMNASMN1; SMN2ALPGALDH1A1

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 1219/4885SMN1; SMN2 3290/4885

“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.