SCHEMBL5029168

SCHEMBL5029168

CC(C)(C)N[C@@H]1CC[C@H](NN(CC=O)C(=O)OCc2ccccc2)[C@H](CO)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCR6 P51684 1/20 0.32
PAX8 Q06710 1/20 0.32
FKBP1A P62942 2/20 0.32
EPHX2 P34913 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL5027262 0.89 CPB1 (0.34) CPB1SIGMAR1ALDH1A1GAATSHR
SCHEMBL5029161 0.77 ALDH1A1 (0.55) CPB1ALDH1A1GAATSHRMEN1
SCHEMBL5029150 0.77 ALDH1A1 (0.55) CPB1ALDH1A1GAATSHRMEN1
SCHEMBL5033700 0.72 CCR2 (0.44) CPB1SIGMAR1
SCHEMBL5029289 0.70 SIGMAR1 (0.38) CPB1SIGMAR1TSHRCHRM2CHRM5
SCHEMBL5027125 0.69 ALDH1A1 (0.52) CPB1ALDH1A1GAATSHRKMT2A
SCHEMBL3733860 0.69 ALDH1A1 (0.52) CPB1ALDH1A1GAATSHRKMT2A
SCHEMBL3733857 0.69 ALDH1A1 (0.52) CPB1ALDH1A1GAATSHRKMT2A
SCHEMBL27667807 0.69 ALDH1A1 (0.52) CPB1ALDH1A1GAATSHRKMT2A
SCHEMBL3748161 0.69 ALDH1A1 (0.52) CPB1ALDH1A1GAATSHRKMT2A

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 2 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
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 CPB1 764/4885SIGMAR1 718/4885ALDH1A1 827/4885

“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.