SCHEMBL6090241

SCHEMBL6090241

CCC(O)(CC)c1cccc2occc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
KCNA3 P22001 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
FTO Q9C0B1 1/20 0.35
EED O75530 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
DRD3 P35462 2/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
FADS1 O60427 1/20 0.31
KCNH2 Q12809 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL22023990 0.82 KCNA3 (0.37) MTNR1AMTNR1BKCNA3MAOAMAOB
SCHEMBL29477140 0.80 MAOA (0.38) MTNR1AMTNR1BKCNA3MAOAMAOB
SCHEMBL2607564 0.76 CA2 (0.41) MTNR1AMTNR1BKCNA3MAOAMAOB
SCHEMBL15582378 0.75 MAOA (0.34) MTNR1AMTNR1BKCNA3MAOAMAOB
SCHEMBL15590666 0.74 KDM4E (0.40) KCNA3MAOAMAOBFTOCTNNB1
SCHEMBL8331214 0.73 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1MEN1CYP2C19
SCHEMBL31698920 0.72 MAOA (0.41) KCNA3MAOAMAOBFTOEED
SCHEMBL826552 0.72 MAOA (0.41) KCNA3MAOAMAOBFTOEED
SCHEMBL21162955 0.69 KCNA3 (0.45) MTNR1AMTNR1BKCNA3MAOAMAOB
SCHEMBL20748002 0.69 MAOB (0.40) KCNA3MAOAMAOBFTOEED

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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R MTNR1A 32/4885MTNR1B 39/4885KCNA3 2532/4885

“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.