SCHEMBL12237808

SCHEMBL12237808

COc1cc(C)ccc1C(=O)N1CC[C@H](N(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
PDE2A O00408 2/20 0.49
PIK3CA P42336 3/20 0.48
MTOR P42345 3/20 0.48
MAP3K12 Q12852 2/20 0.47
TLR9 Q9NR96 2/20 0.45
TLR8 Q9NR97 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
HSD11B1 P28845 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK14 Q16539 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL12237798 0.93 L3MBTL3 (0.54) HCRTR1HCRTR2PDE2APIK3CAMTOR
SCHEMBL280261 0.79 HCRTR1 (0.53) HCRTR1HCRTR2PDE2AMAP3K12GAA
SCHEMBL20094149 0.78 L3MBTL3 (0.55) TLR9TLR8TLR7L3MBTL3HSD11B1
SCHEMBL10293595 0.77 MEN1 (0.67) HCRTR1HCRTR2PDE2AMAP3K12LMNA
SCHEMBL11961208 0.77 L3MBTL3 (0.63) HCRTR1HCRTR2PIK3CAMTORL3MBTL3
SCHEMBL12237837 0.76 L3MBTL3 (0.71) L3MBTL3HSD11B1LMNAHPGD
SCHEMBL12237840 0.76 L3MBTL3 (0.71) L3MBTL3HSD11B1LMNAHPGD
SCHEMBL10195734 0.76 L3MBTL3 (0.71) L3MBTL3HSD11B1LMNAHPGD
SCHEMBL4697556 0.75 L3MBTL3 (0.50) PIK3CAMTORL3MBTL3
SCHEMBL1447788 0.75 L3MBTL3 (0.50) PIK3CAMTORL3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2010012747-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 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-20110263565-A1 COMPOUNDS MKI67, CCNA1, CCNT1 HCRTR1 889/4885HCRTR2 2226/4885PDE2A 2336/4885

“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.