SCHEMBL6073418

SCHEMBL6073418

COc1ccc2c(n1)CCC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 9/20 0.43
DDB1 Q16531 3/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP1A2 P05177 2/20 0.41
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL20095521 0.90 CRBN (0.42) CRBNDDB1CYP11B1CYP11B2CYP1A2
SCHEMBL6073595 0.85 PDE3B (0.44) CRBNDDB1CYP11B1CYP11B2CYP1A2
SCHEMBL5621795 0.80 MAPT (0.36) CRBNDDB1CYP11B1CYP11B2CYP1A2
SCHEMBL14494505 0.77 MAPT (0.41) CRBNCYP11B1CYP11B2CYP1A2NPC1
SCHEMBL31287140 0.77 NPC1 (0.40) CRBNCYP11B1CYP11B2CYP1A2NPC1
SCHEMBL25211244 0.74 NPC1 (0.40) CRBNCYP11B1CYP11B2CYP1A2NPC1
SCHEMBL29363831 0.74 NPC1 (0.40) CRBNCYP11B1CYP11B2CYP1A2NPC1
SCHEMBL13947434 0.74 DRD2 (0.38) CYP1A2NPC1MAPTRAB9AMEN1
SCHEMBL18237934 0.73 CRBN (0.42) CRBNDDB1CYP11B1CYP11B2CYP1A2
SCHEMBL335438 0.73 DRD2 (0.49) CRBNDDB1PDE3BPDE3ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
EP-1272484-B1 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PROD INC (US) 2005-07-20 EP disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 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-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 CRBN 3999/4885DDB1 3689/4885CYP11B1 2904/4885

“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.