SCHEMBL4609055

SCHEMBL4609055

CC(C)(C)[Si](C)(C)OCc1ccccc1C(=O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HCRTR2 O43614 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDK2 Q15119 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
HPGD P15428 3/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7171858 0.82 BACE1 (0.38) BACE1NPSR1HCRTR2ALDH1A1TRPM8
SCHEMBL6673753 0.81 BACE1 (0.49) BACE1TSHRALDH1A1TP53HTT
SCHEMBL31094071 0.81 BACE1 (0.49) BACE1TSHRALDH1A1TP53HTT
SCHEMBL25591913 0.79 ALDH1A1 (0.50) BACE1TSHRALDH1A1HTTLMNA
SCHEMBL863465 0.78 BACE1 (0.45) BACE1HCRTR2ALDH1A1HPGDLMNA
SCHEMBL29703037 0.78 BACE1 (0.49) BACE1ALDH1A1HPGDTP53HTT
SCHEMBL22343654 0.78 BACE1 (0.49) BACE1ALDH1A1HPGDTP53HTT
SCHEMBL1600945 0.76 CFTR (0.39) TSHRALDH1A1
SCHEMBL1601508 0.75 CFTR (0.40) TSHRALDH1A1
SCHEMBL4609411 0.75 BACE1 (0.49) BACE1HCRTR2ALDH1A1TRPM8HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-6916956-B2 Calcium receptor antagonist JAPAN TOBACCO, INC. (JP) 2005-07-12 US disclosed
US-20050107448-A1 Calcium receptor antagonists JAPAN TABACCO INC. 2005-05-19 US disclosed
US-20040006130-A1 Calcium receptor antagonist JAPAN TOBACCO INC (JP) 2004-01-08 US disclosed
EP-1308436-A1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC. (JP) 2003-05-07 EP 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 (2 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-20050107448-A1 Calcium receptor antagonists CASR, CALCR, CALCRL BACE1 1170/4885TSHR 35/4885NPSR1 605/4885
US-20040006130-A1 Calcium receptor antagonist CALCRL, CASR, CALCR BACE1 1227/4885TSHR 92/4885NPSR1 885/4885

“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.