SCHEMBL4021207

SCHEMBL4021207

CC(C)(C)N(CC[C@]1(c2ccccc2)C[C@H]1COCc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
SLC6A4 P31645 1/20 0.34
LMNA P02545 3/20 0.33
AKT1 P31749 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
RORC P51449 2/20 0.32
EPHX2 P34913 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL4027422 0.89 SLC6A2 (0.41) SLC6A2MEN1KMT2AL3MBTL1HTT
SCHEMBL4027425 0.89 SLC6A2 (0.41) SLC6A2MEN1KMT2AL3MBTL1HTT
SCHEMBL4028340 0.89 SLC6A2 (0.41) SLC6A2MEN1KMT2AL3MBTL1HTT
SCHEMBL13720522 0.77 IDO1 (0.43) KMT2AL3MBTL1LMNASMN1; SMN2CNR2
SCHEMBL13720294 0.77 IDO1 (0.43) KMT2AL3MBTL1LMNASMN1; SMN2CNR2
SCHEMBL4028380 0.76 L3MBTL1 (0.43) SLC6A2L3MBTL1SLC6A4RAB9ARORC
SCHEMBL4029654 0.76 L3MBTL1 (0.43) SLC6A2L3MBTL1SLC6A4RAB9ARORC
SCHEMBL13720576 0.75 MAOB (0.41) LMNATSHR
SCHEMBL4022977 0.75 MAOB (0.41) LMNATSHR
SCHEMBL13720497 0.74 OPRK1 (0.46) SLC6A2SLC6A4LMNATSHROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
EP-1569934-B1 CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-01-23 EP disclosed
US-20060052408-A1 Cyclopropyl compounds as ccr5 antagonists SMITHKLINE BEECHAM CORPORATION 2006-03-09 US disclosed
EP-1569934-A2 CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004055010-A2 CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO 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-20060052408-A1 Cyclopropyl compounds as ccr5 antagonists CCR5, CCR1, CCL5 SLC6A2 1961/4885MEN1 4782/4885KMT2A 4796/4885

“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.