SCHEMBL5033798

SCHEMBL5033798

C[C@H](N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM1A O60341 2/20 0.36
POLB P06746 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
JAK1 P23458 2/20 0.35
JAK2 O60674 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL5233189 1.00 RECQL (0.40) RECQLGAAL3MBTL1USP2ALOX15
SCHEMBL6353886 0.76 GPR119 (0.48) L3MBTL1MAPK1JAK1JAK2
SCHEMBL6022085 0.76 GPR119 (0.48) L3MBTL1MAPK1JAK1JAK2
SCHEMBL6354868 0.76 GPR119 (0.48) L3MBTL1MAPK1JAK1JAK2
SCHEMBL23415248 0.76 GPR119 (0.48) L3MBTL1MAPK1JAK1JAK2
SCHEMBL23415247 0.76 GPR119 (0.48) L3MBTL1MAPK1JAK1JAK2
SCHEMBL1220516 0.76 GPR119 (0.48) L3MBTL1MAPK1JAK1JAK2
SCHEMBL5233146 0.76 ALDH1A1 (0.46) RECQLGAAL3MBTL1POLBTAAR1
SCHEMBL5029561 0.76 GAA (0.50) RECQLGAAL3MBTL1USP2ALOX15
SCHEMBL5228117 0.76 GAA (0.50) RECQLGAAL3MBTL1USP2ALOX15

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 RECQL 4078/4885GAA 4005/4885L3MBTL1 4606/4885

“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.