SCHEMBL4456722

SCHEMBL4456722

Cc1ccccc1C(CC(=O)NC1(C(=O)N2CCN(c3ccccc3)CC2)CCCCC1)c1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
LMNA P02545 2/20 0.59
FAAH O00519 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALPG P10696 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
HCN4 Q9Y3Q4 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4452309 0.87 TSHR (0.43) TSHRLMNAFAAHTRPV1MAPT
SCHEMBL4248134 0.86 LMNA (0.64) TSHRLMNAFAAHTRPV1MAPT
SCHEMBL13671109 0.84 LMNA (0.56) TSHRLMNAPOLB
SCHEMBL4456969 0.81 TSHR (0.51) TSHRLMNAFAAHTRPV1MAPT
SCHEMBL4447544 0.81 LMNA (0.72) TSHRLMNAFAAHTRPV1USP2
SCHEMBL13671111 0.80 LMNA (0.54) TSHRLMNAFAAHTRPV1ALPG
SCHEMBL4453428 0.80 TSHR (0.56) TSHRLMNAUSP2SMN1; SMN2POLB
SCHEMBL4450270 0.80 LMNA (0.56) TSHRLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL13620306 0.80 LMNA (0.44) TSHRLMNAMAPTSMN1; SMN2POLB
SCHEMBL13620078 0.78 LMNA (0.57) TSHRLMNAFAAHTRPV1ALPG

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 1219/4885FAAH 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.