SCHEMBL1553090

SCHEMBL1553090

CC(C)c1cn(C)c2ccc(C(=O)Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
CMA1 P23946 2/20 0.38
RXRA P19793 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SLC22A12 Q96S37 1/20 0.36
GLRA1 P23415 1/20 0.36
KCNH2 Q12809 1/20 0.36
APAF1 O14727 1/20 0.35
SCN9A Q15858 1/20 0.35
IDO1 P14902 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1554607 0.86 ACE2 (0.51) MTNR1AMTNR1BRXRAACE2KDM4E
SCHEMBL23809393 0.85 KDM4E (0.46) MTNR1AMTNR1BKDM4EIDO1
SCHEMBL23809233 0.82 HDAC6 (0.45) MTNR1AMTNR1BCMA1SCN9A
SCHEMBL1554429 0.82 MTNR1A (0.49) MTNR1AMTNR1BKDM4E
SCHEMBL23809270 0.82 PDE9A (0.41) MTNR1AMTNR1BRXRA
SCHEMBL23809446 0.79 CNR2 (0.49)
SCHEMBL23809275 0.77 HASPIN (0.53) CMA1POLB
SCHEMBL16017509 0.77 MTNR1A (0.39) MTNR1AMTNR1BCMA1RXRAKDM4E
SCHEMBL14502284 0.76 MTNR1B (0.43) MTNR1AMTNR1BKCNH2IDO1
SCHEMBL1553984 0.75 PDE4D (0.50)

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 300/4885CMA1 887/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 MTNR1A 254/4885MTNR1B 176/4885CMA1 4546/4885

“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.