SCHEMBL1553671

SCHEMBL1553671

O=C(O)c1ccc(OCc2cccc3[nH]nnc23)c2nc(C(c3ccccc3)C3CCCCC3)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
PARP1 P09874 3/20 0.33
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
ALOX5 P09917 2/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1553808 0.84 PDE4A (0.35) PARP1PTGDR2LMNA
SCHEMBL1553417 0.83 SRD5A2 (0.36)
SCHEMBL1553590 0.82 PDE4A (0.37) PARP1
SCHEMBL1552833 0.80 PARP1 (0.38) PARP1
SCHEMBL1554521 0.79 ALOX5AP (0.39) ALOX5APPARP1ADRB1ADRB3LMNA
Hydrochloric Acid SCHEMBL8605074 0.78 ALOX5AP (0.39) ALOX5APPARP1ADRB1ADRB3LMNA
SCHEMBL1553868 0.77 PDE4A (0.39) PTGDR2
SCHEMBL1553701 0.76 MRGPRX4 (0.37) PTGDR2LMNA
SCHEMBL1553961 0.72 FOLH1 (0.36) PTGDR2
SCHEMBL8605067 0.72 ALOX5AP (0.38) ALOX5APPARP1PTGDR2LMNASMN1; SMN2

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 ALOX5AP 1393/4885PARP1 1537/4885ADRB1 27/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 ALOX5AP 3214/4885PARP1 4008/4885ADRB1 193/4885

“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.