SCHEMBL4404820

SCHEMBL4404820

O=C(CCc1ccccc1)N1CCC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FKBP1A P62942 1/20 0.54
NAAA Q02083 5/20 0.51
POLB P06746 2/20 0.51
FAAH O00519 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
KEAP1 Q14145 1/20 0.48
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48

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
SCHEMBL10839399 0.89 NPC1 (0.62) NPC1TDP1MAPTMAPK1RAB9A
SCHEMBL2722040 0.84 LMNA (0.46) NPC1TDP1MAPTMAPK1RAB9A
SCHEMBL12735068 0.84 NAAA (0.52) NPC1TDP1MAPTMAPK1RAB9A
SCHEMBL6535800 0.83 ALDH1A1 (0.64) TDP1MAPTRAB9ASMN1; SMN2TSHR
SCHEMBL9729678 0.81 NPC1 (0.60) NPC1TDP1MAPTMAPK1RAB9A
SCHEMBL20196333 0.80 POLB (0.45) NPC1TDP1MAPTMAPK1RAB9A
SCHEMBL4400997 0.80 KCNJ1 (0.51) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL9576428 0.80 NPC1 (0.59) NPC1TDP1MAPTMAPK1RAB9A
SCHEMBL14297019 0.78 POLB (0.49) NPC1TDP1MAPTMAPK1RAB9A
SCHEMBL7269558 0.78 NAAA (0.81) FKBP1ANAAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318806-A4 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP claimed
EP-1318806-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-18 EP claimed
WO-2002024197-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-03-28 WO claimed
WO-2012059873-A2 ANTI-DIABETIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2012-05-10 WO disclosed
US-20110087010-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED 2011-04-14 US disclosed
US-20080152660-A1 Anti-Angiogenic Compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2008-06-26 US disclosed
EP-1318806-A4 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP disclosed
EP-1318806-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-18 EP disclosed
WO-2002024197-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-03-28 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 (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-20110087010-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, KDR NPC1 3747/4885TDP1 4403/4885MAPT 3908/4885
US-20080152660-A1 Anti-Angiogenic Compounds VEGFA, FLT4, KDR NPC1 3747/4885TDP1 4403/4885MAPT 3908/4885

“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.