SCHEMBL5029181

SCHEMBL5029181

CCOC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.45
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGDS O60760 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 1/20 0.42
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL30975924 0.95 ALPL (0.47) ALPLMAPTRAB9ANPC1KMT2A
SCHEMBL1073110 0.85 MAPK1 (0.50) ALPLMAPTRAB9ANPC1KMT2A
SCHEMBL30976028 0.79 MAPK1 (0.53) ALPLMAPTRAB9ANPC1HPGDS
SCHEMBL5027225 0.79 MEN1 (0.43) ALPLMAPTRAB9ANPC1KMT2A
SCHEMBL30976061 0.78 ALPL (0.49) ALPLMAPTRAB9ANPC1KMT2A
SCHEMBL26100595 0.77 ALPL (0.48) ALPLMAPTRAB9ANPC1KMT2A
SCHEMBL30975914 0.76 MAPT (0.49) ALPLMAPTRAB9ANPC1KMT2A
SCHEMBL3738880 0.75 PPARG (0.43) MAPTRAB9ANPC1KMT2APPARG
SCHEMBL5230431 0.75 PPARG (0.43) MAPTRAB9ANPC1KMT2AL3MBTL1
SCHEMBL26103684 0.74 ALPL (0.45) ALPLMAPTRAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 ALPL 4821/4885MAPT 4493/4885RAB9A 2580/4885

“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.