SCHEMBL3758165

SCHEMBL3758165

CC(C)CNC[C@H](N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
AOC3 Q16853 1/20 0.47
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 3/20 0.42
BCDIN3D Q7Z5W3 1/20 0.42
SCN4A P35499 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 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
SCHEMBL11879789 0.82 GBA1 (0.49) GBA1AOC3KDM4EL3MBTL1BCDIN3D
SCHEMBL18539336 0.82 GBA1 (0.49) GBA1AOC3KDM4EL3MBTL1BCDIN3D
SCHEMBL23374639 0.81 GRIN1 (0.55) AOC3KDM4EL3MBTL1TAAR1ADRA2A
SCHEMBL2608085 0.81 DPP4 (0.46) AOC3KDM4EL3MBTL1TAAR1ADRA2A
SCHEMBL8538081 0.80 GRIN1 (0.47) AOC3BCDIN3DADRA2ALMNA
SCHEMBL17091537 0.78 GBA1 (0.46) GBA1AOC3KDM4EL3MBTL1SCN4A
SCHEMBL18539220 0.78 GBA1 (0.46) GBA1AOC3KDM4EL3MBTL1SCN4A
SCHEMBL18539372 0.78 GBA1 (0.49) GBA1AOC3TAAR1SCN4AHIF1A
SCHEMBL13673875 0.78 GBA1 (0.49) GBA1AOC3TAAR1SCN4AHIF1A
SCHEMBL20525309 0.77 GBA1 (0.45) GBA1AOC3KDM4EL3MBTL1SCN4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 GBA1 3301/4885AOC3 4760/4885KDM4E 4532/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 GBA1 3301/4885AOC3 4760/4885KDM4E 4532/4885

“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.