SCHEMBL5031825

SCHEMBL5031825

CC(C)C=C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CPB1 P15086 2/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCR2 P41597 3/20 0.45
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 2/20 0.43
SYK P43405 1/20 0.42
TLR4 O00206 1/20 0.41
CCR3 P51677 1/20 0.41
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX1 P07099 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL5321805 1.00 TSHR (0.47) TSHRALDH1A1GAACPB1KMT2A
SCHEMBL5321808 1.00 TSHR (0.47) TSHRALDH1A1GAACPB1KMT2A
SCHEMBL5031830 1.00 TSHR (0.47) TSHRALDH1A1GAACPB1KMT2A
SCHEMBL3737650 0.92 ALDH1A1 (0.49) TSHRALDH1A1GAACPB1KMT2A
SCHEMBL5031935 0.88 ALDH1A1 (0.47) TSHRALDH1A1GAACPB1KMT2A
SCHEMBL5033553 0.88 ALDH1A1 (0.47) TSHRALDH1A1GAACPB1KMT2A
SCHEMBL5033555 0.88 ALDH1A1 (0.47) TSHRALDH1A1GAACPB1KMT2A
SCHEMBL5031933 0.88 ALDH1A1 (0.47) TSHRALDH1A1GAACPB1KMT2A
SCHEMBL13708988 0.88 ALDH1A1 (0.51) TSHRALDH1A1GAACPB1KMT2A
SCHEMBL3738869 0.87 ALDH1A1 (0.50) TSHRALDH1A1GAACPB1KMT2A

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 TSHR 1726/4885ALDH1A1 827/4885GAA 4005/4885

“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.