SCHEMBL4019261

SCHEMBL4019261

O=C[C@@H]1C[C@@]1(CCNC(=O)O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 3/20 0.34
SLC6A4 P31645 2/20 0.34
P2RX7 Q99572 2/20 0.33
HDAC4 P56524 1/20 0.33
SLC6A2 P23975 3/20 0.33
ALOX15 P16050 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL4025564 1.00 LMNA (0.38) LMNAHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL4023906 1.00 LMNA (0.38) LMNAHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL4022096 1.00 LMNA (0.38) LMNAHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL4022685 0.85 LMNA (0.40) LMNAHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL4024901 0.85 LMNA (0.40) LMNAHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL13720265 0.82 IDO1 (0.41)
SCHEMBL13720690 0.82 IDO1 (0.41)
SCHEMBL11138226 0.80 LMNA (0.44) LMNAHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL4020346 0.78 SLC6A4 (0.40) LMNAHTTSMN1; SMN2MAOBSLC6A4
SCHEMBL4020641 0.78 SLC6A4 (0.40) LMNAHTTSMN1; SMN2MAOBSLC6A4

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-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

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 LMNA 4506/4885HTT 4709/4885SMN1; SMN2 4468/4885

“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.