SCHEMBL1316752

SCHEMBL1316752

O=C(NCCN1CCNCC1)NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.60
CHRM5 P08912 1/20 0.60
CHRM3 P20309 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
EPHX1 P07099 13/20 0.59
GAA P10253 1/20 0.59
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
EPHX2 P34913 3/20 0.50

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
SCHEMBL7569550 0.82 EPHX1 (0.84) EPHX1GAAKDM4EALDH1A1EPHX2
SCHEMBL491868 0.79 EPHX1 (0.79) EPHX1GAAKDM4EALDH1A1EPHX2
SCHEMBL1314827 0.79 SIGMAR1 (0.72) RAD52CHRM5CHRM3SIGMAR1EPHX1
SCHEMBL1316135 0.79 SIGMAR1 (0.72) RAD52CHRM5CHRM3SIGMAR1EPHX1
SCHEMBL15975480 0.79 EPHX1 (0.79) EPHX1GAAKDM4EALDH1A1EPHX2
SCHEMBL14761678 0.79 ITGB3 (0.58) RAD52CHRM5CHRM3SIGMAR1ALDH1A1
SCHEMBL18230719 0.78 RAD52 (0.55) RAD52CHRM5CHRM3SIGMAR1EPHX1
SCHEMBL18230721 0.78 RAD52 (0.55) RAD52CHRM5CHRM3SIGMAR1EPHX1
SCHEMBL1316096 0.77 SIGMAR1 (0.69) RAD52CHRM5CHRM3SIGMAR1EPHX1
SCHEMBL22064074 0.77 ITGB3 (0.56) RAD52CHRM5CHRM3SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275670-A1 New Compounds VII BIOVITRUM AB (SE) 2011-11-10 US claimed
EP-2321276-A1 NEW COMPOUNDS VII AstraZeneca AB (SE) 2011-05-18 EP claimed
WO-2009147219-A1 NEW COMPOUNDS VII BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
US-20110275670-A1 New Compounds VII BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2321276-A1 NEW COMPOUNDS VII AstraZeneca AB (SE) 2011-05-18 EP disclosed
WO-2009147219-A1 NEW COMPOUNDS VII BIOVITRUM AB (PUBL) (SE) 2009-12-10 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 (1 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-20110275670-A1 New Compounds VII GPR119, GLP1R, GIPR RAD52 4604/4885CHRM5 1855/4885CHRM3 1778/4885

“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.