SCHEMBL6501529

SCHEMBL6501529

O=C1CC(C(=O)O)CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.46
CYP2A6 P11509 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CES1 P23141 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP19A1 P11511 3/20 0.40
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL4741490 0.87 SMN1; SMN2 (0.53) HTR7CYP2A6MAOAMAOBSMN1; SMN2
SCHEMBL1992671 0.84 SMN1; SMN2 (0.53) CYP2A6MAOAMAOBSMN1; SMN2AKR1C3
SCHEMBL5659127 0.84 SMN1; SMN2 (0.53) CYP2A6MAOAMAOBSMN1; SMN2AKR1C3
SCHEMBL5660492 0.84 SMN1; SMN2 (0.53) CYP2A6MAOAMAOBSMN1; SMN2AKR1C3
SCHEMBL6427539 0.80 FAAH (0.53) AKR1C3AKR1C1
SCHEMBL367535 0.80 FAAH (0.53) AKR1C3AKR1C1
SCHEMBL5608206 0.80 FAAH (0.53) AKR1C3AKR1C1
Hydrochloric Acid SCHEMBL9266537 0.79 ANPEP (0.53) AKR1C3AKR1C1
SCHEMBL31293377 0.78 MAOB (0.40) MAOBALDH1A1SRD5A1NPC1RAB9A
SCHEMBL6501023 0.78 F7 (0.42) MAPTSRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 HTR7 1189/4885CYP2A6 372/4885MAOA 3096/4885

“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.