SCHEMBL1552949

SCHEMBL1552949

Cc1cn(CC2CCCO2)c2cc(C(=O)O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.54
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
KDM4C Q9H3R0 1/20 0.49
HTT P42858 2/20 0.48
TSHR P16473 2/20 0.48
PTGER4 P35408 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
HCAR3 P49019 1/20 0.43
MAPK1 P28482 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
SCHEMBL1553899 0.98 SLC22A12 (0.54) SLC22A12CNR1CNR2KDM4CHTT
Hydrochloric Acid SCHEMBL8602666 0.97 SLC22A12 (0.53) SLC22A12CNR1CNR2KDM4CHTT
SCHEMBL8602662 0.89 PDE4A (0.49) SLC22A12CNR1CNR2HTTPTGER4
SCHEMBL1553480 0.88 ALDH1A1 (0.56) CNR1CNR2HTTTSHRALDH1A1
SCHEMBL1553931 0.87 ALDH1A1 (0.53) SLC22A12CNR1CNR2HTTTSHR
SCHEMBL8602085 0.83 PDE4A (0.62) SLC22A12CNR1CNR2KDM4CPDE4A
SCHEMBL1554911 0.82 PDE4A (0.64) SLC22A12CNR1KDM4CPDE4APDE4B
SCHEMBL1553088 0.82 PDE4A (0.64) SLC22A12CNR1KDM4CPDE4APDE4B
Hydrochloric Acid SCHEMBL8601796 0.82 PDE4A (0.61) SLC22A12CNR1CNR2KDM4CPDE4A
Hydrochloric Acid SCHEMBL8601553 0.81 PDE4A (0.63) SLC22A12CNR1KDM4CPDE4APDE4B

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 10 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
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR SLC22A12 3459/4885CNR1 165/4885CNR2 572/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 SLC22A12 1326/4885CNR1 113/4885CNR2 264/4885

“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.