SCHEMBL1554429

SCHEMBL1554429

COC(=O)c1ccc2c(c1)c(C(C)C)cn2C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
NR4A2 P43354 8/20 0.46
MAPT P10636 1/20 0.43
KDR P35968 1/20 0.42
EDNRA P25101 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL20746835 0.89 EDNRA (0.51) MTNR1AMTNR1BNR4A2MAPTEDNRA
SCHEMBL22939299 0.84 CA12 (0.43) MTNR1AMTNR1BMAPTKDRMEN1
SCHEMBL1554607 0.84 ACE2 (0.51) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL23809233 0.83 HDAC6 (0.45) MTNR1AMTNR1B
SCHEMBL23809393 0.82 KDM4E (0.46) MTNR1AMTNR1BEDNRAALDH1A1KDM4E
SCHEMBL1553090 0.82 MTNR1A (0.42) MTNR1AMTNR1BKDM4E
SCHEMBL22538729 0.81 NR4A2 (0.49) NR4A2MAPTKDRCA12CA1
SCHEMBL23809270 0.80 PDE9A (0.41) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL13806396 0.79 KDM4E (0.51) NR4A2MAPTKDRCA12CA1
SCHEMBL15687469 0.79 NR4A2 (0.51) NR4A2MAPTKDRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934307-B1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2011-04-27 EP disclosed
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed
US-7329675-B2 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2008-02-12 US disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 US 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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR MTNR1A 299/4885MTNR1B 300/4885NR4A2 163/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 MTNR1A 254/4885MTNR1B 176/4885NR4A2 9/4885

“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.