SCHEMBL4022685

SCHEMBL4022685

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
P2RX7 Q99572 4/20 0.36
MAOB P27338 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 2/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL4024901 1.00 LMNA (0.40) LMNAP2RX7MAOBSMN1; SMN2NPSR1
SCHEMBL4023906 0.85 LMNA (0.38) LMNAP2RX7MAOBSMN1; SMN2SLC6A4
SCHEMBL4019261 0.85 LMNA (0.38) LMNAP2RX7MAOBSMN1; SMN2SLC6A4
SCHEMBL4022096 0.85 LMNA (0.38) LMNAP2RX7MAOBSMN1; SMN2SLC6A4
SCHEMBL4025564 0.85 LMNA (0.38) LMNAP2RX7MAOBSMN1; SMN2SLC6A4
SCHEMBL4026465 0.77 SLC6A4 (0.42) LMNAP2RX7MAOBSMN1; SMN2SLC6A4
SCHEMBL4025554 0.74 SLC6A2 (0.39) MAOBSLC6A4SLC6A2OPRM1OPRL1
SCHEMBL4024571 0.74 SLC6A2 (0.39) MAOBSLC6A4SLC6A2OPRM1OPRL1
SCHEMBL4019257 0.74 SLC6A2 (0.39) MAOBSLC6A4SLC6A2OPRM1OPRL1
SCHEMBL4028181 0.74 SLC6A2 (0.39) MAOBSLC6A4SLC6A2OPRM1OPRL1

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 4506/4885P2RX7 1521/4885MAOB 3055/4885

“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.