SCHEMBL3065666

SCHEMBL3065666

COCCCOc1cccc2cc(CO)oc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.45
ADORA2A P29274 6/20 0.41
ADORA1 P30542 3/20 0.41
ADORA3 P0DMS8 4/20 0.40
DRD2 P14416 3/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
ADORA2B P29275 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3065127 0.86 CNR2 (0.42) CNR2ADORA2AADORA1ADORA3DRD2
SCHEMBL73352 0.82 LMNA (0.56) ADORA2AADORA1ADORA3LMNARECQL
SCHEMBL3061600 0.75 LMNA (0.49) CNR2LMNARECQLALDH1A1KMT2A
SCHEMBL6142910 0.74 RAB9A (0.43) ADORA3LMNARECQLALDH1A1KMT2A
SCHEMBL14489398 0.72 CYP2D6 (0.38) CNR2ADORA2AADORA1ADORA3DRD2
SCHEMBL11301046 0.71 ADORA3 (0.54) ADORA2AADORA1ADORA3DRD2ALDH1A1
SCHEMBL5565438 0.71 LMNA (0.55) CNR2ADORA2AADORA1ADORA3LMNA
SCHEMBL11303560 0.71 LMNA (0.54) ADORA2AADORA1ADORA3LMNARECQL
SCHEMBL11347672 0.70 CNR2 (0.48) CNR2ADORA2AADORA1ADORA3LMNA
SCHEMBL29876469 0.70 ATM (0.46) ADORA2ALMNARECQLALDH1A1KMT2A

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
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 CNR2 1456/4885ADORA2A 2538/4885ADORA1 2735/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CNR2 1456/4885ADORA2A 2538/4885ADORA1 2735/4885

“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.