SCHEMBL8250806

SCHEMBL8250806

CCc1ccc(CN(CC)Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
CNR2 P34972 1/20 0.60
KDM4E B2RXH2 1/20 0.59
TSHR P16473 3/20 0.58
MAPK1 P28482 1/20 0.58
HRH3 Q9Y5N1 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
BCHE P06276 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ACHE P22303 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48

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
SCHEMBL12763727 0.93 CNR2 (0.67) CNR2KDM4ETSHRMAPK1HRH3
SCHEMBL375111 0.91 KDM4E (0.68) CNR2KDM4ETSHRMAPK1HRH3
Hydrochloric Acid SCHEMBL11608574 0.89 KDM4E (0.66) CNR2KDM4ETSHRMAPK1HRH3
SCHEMBL12763732 0.87 HRH3 (0.75) CNR2KDM4ETSHRMAPK1HRH3
SCHEMBL81248 0.86 HRH3 (0.65) TP53CNR2KDM4ETSHRMAPK1
SCHEMBL5926009 0.86 HRH3 (0.73) CNR2HRH3
SCHEMBL14174788 0.85 CNR2 (0.58) CNR2KDM4ETSHRMAPK1HRH3
Water SCHEMBL5507580 0.84 HRH3 (0.62) CNR2KDM4ETSHRMAPK1HRH3
Iodide SCHEMBL21693881 0.84 HRH3 (0.62) CNR2KDM4ETSHRMAPK1HRH3
Fluoride SCHEMBL11307410 0.84 HRH3 (0.62) CNR2KDM4ETSHRMAPK1HRH3

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
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 TP53 1793/4885CNR2 3169/4885KDM4E 4714/4885

“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.