SCHEMBL5820729

SCHEMBL5820729

CC(O[Si](C)(C)C(C)(C)C)n1cc(C(=O)N2CCN(c3cccc(C#N)c3)CC2)c(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.39
CHRM4 P08173 2/20 0.39
SMO Q99835 1/20 0.39
SLC6A7 Q99884 1/20 0.38
PLAUR Q03405 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.36
SCD O00767 1/20 0.36
PHGDH O43175 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCKAR P32238 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL5763267 0.87 PARP14 (0.41) SLC6A7PLAURMEN1KMT2AALDH1A1
SCHEMBL1380695 0.84 SLC6A9 (0.45) SLC6A9CHRM4SMOSLC6A7MEN1
SCHEMBL5820248 0.84 CHRM4 (0.39) SLC6A9CHRM4SMOSLC6A7MEN1
SCHEMBL6506210 0.82 CHRM4 (0.42) SLC6A9CHRM4SMOSLC6A7MEN1
SCHEMBL1383360 0.76 NOTUM (0.46) SLC6A9CHRM4SMOSLC6A7MEN1
SCHEMBL6502353 0.75 NOTUM (0.44) SLC6A9CHRM4SMOSLC6A7MEN1
SCHEMBL6494220 0.74 CHRM4 (0.42) CHRM4SMOSLC6A7TSHRLMNA
SCHEMBL1382166 0.73 DRD2 (0.48) SLC6A9CHRM4SMOSLC6A7MEN1
SCHEMBL1384516 0.70 ABCG2 (0.48) CHRM4SMOSLC6A7MEN1KMT2A
SCHEMBL1380080 0.70 SMO (0.43) SLC6A9CHRM4SMOSLC6A7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 WO 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC SLC6A9 4785/4885CHRM4 4347/4885SMO 2088/4885

“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.