SCHEMBL5029561

SCHEMBL5029561

CC(C)N[C@@H]1CC[C@H](N[C@@H](C)c2ccccc2)[C@H](C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EPHX1 P07099 2/20 0.45
LMNA P02545 2/20 0.45
RECQL P46063 1/20 0.45
TAAR1 Q96RJ0 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 3/20 0.40
EPHX2 P34913 1/20 0.40
KDM1A O60341 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
NPY1R P25929 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5228117 1.00 GAA (0.50) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL3058008 0.82 GAA (0.57) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL6517000 0.82 GAA (0.57) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL6719058 0.82 RECQL (0.54) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL3052941 0.82 GAA (0.57) GAAL3MBTL1EPHX1LMNARECQL
Bromide SCHEMBL6524466 0.81 GAA (0.55) GAAL3MBTL1EPHX1LMNARECQL
Hydrochloric Acid SCHEMBL6527524 0.81 GAA (0.55) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL6719087 0.81 EPHX1 (0.56) GAAL3MBTL1EPHX1LMNARECQL
Bromide SCHEMBL6715320 0.81 GAA (0.55) GAAL3MBTL1EPHX1LMNARECQL
Hydrochloric Acid SCHEMBL6527528 0.81 GAA (0.55) GAAL3MBTL1EPHX1LMNARECQL

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 GAA 4005/4885L3MBTL1 4606/4885EPHX1 2141/4885

“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.