SCHEMBL6099019

SCHEMBL6099019

COc1cccc2ccc(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 1/20 0.43
HSD11B1 P28845 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NQO1 P15559 1/20 0.41
ACHE P22303 5/20 0.41
BCHE P06276 4/20 0.41
HTR1A P08908 3/20 0.40
HTR1D P28221 3/20 0.40
HTR1B P28222 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL124046 0.90 MTNR1A (0.47) MTNR1AMTNR1BHTR2A
SCHEMBL8016986 0.90 HTR1A (0.42) MTNR1AMTNR1BHSD11B1HTR1AHTR1D
SCHEMBL6101788 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10MTNR1A
SCHEMBL30203278 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10MTNR1A
SCHEMBL1305414 0.85 MAPT (0.45) ALDH1A1MTNR1AMTNR1BHSD11B1SMN1; SMN2
SCHEMBL6552887 0.82 MTNR1A (0.42) MTNR1AMTNR1BSMN1; SMN2HTR2A
SCHEMBL8499142 0.82 HTR1D (0.43) ALDH1A1HSD11B1SMN1; SMN2LMNAL3MBTL1
SCHEMBL8499741 0.81 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4542485 0.81 HTR1A (0.45) MTNR1AMTNR1BHSD11B1HTR1AHTR1D
SCHEMBL25632695 0.81 HTR1A (0.42) MTNR1AMTNR1BHSD11B1SMN1; SMN2LMNA

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-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 ALDH1A1 698/4885KDM4E 1589/4885HPGD 1495/4885

“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.