SCHEMBL5030277

SCHEMBL5030277

CC(C)(C)N[C@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(Br)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 2/20 0.42
CCR2 P41597 4/20 0.41
ACKR3 P25106 1/20 0.41
GRM5 P41594 1/20 0.39
KMT2A Q03164 3/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
KDM1A O60341 2/20 0.36
MAOB P27338 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
SCHEMBL5030274 1.00 RAB9A (0.46) RAB9AALDH1A1HPGDNPC1CCR2
SCHEMBL5033653 0.87 CCR2 (0.51) RAB9ANPC1CCR2KMT2ACCR5
SCHEMBL5033656 0.87 CCR2 (0.51) RAB9ANPC1CCR2KMT2ACCR5
SCHEMBL5029598 0.81 RAB9A (0.43) RAB9ANPC1CCR2SMYD3
SCHEMBL5033733 0.80 CNR2 (0.45) RAB9ACCR2
SCHEMBL5031756 0.79 RAB9A (0.40) RAB9ANPC1CCR2KMT2ACCR5
SCHEMBL5027275 0.79 ALDH1A1 (0.56) RAB9AALDH1A1HPGDNPC1CCR2
SCHEMBL5027265 0.79 ALDH1A1 (0.56) RAB9AALDH1A1HPGDNPC1CCR2
SCHEMBL5029439 0.78 CTSA (0.45) RAB9ACCR2
SCHEMBL5029445 0.78 CTSA (0.45) RAB9ACCR2

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 RAB9A 2580/4885ALDH1A1 827/4885HPGD 2035/4885

“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.