SCHEMBL2072728

SCHEMBL2072728

COC(=O)C1(N(C(=O)C2CCCCN2C(=O)O)c2ccc(Br)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 2/20 0.36
CACNA1C Q13936 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
KCNH2 Q12809 2/20 0.35
FKBP1A P62942 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2073365 0.87 UCHL1 (0.43) ALDH1A1
SCHEMBL2074628 0.86 GHSR (0.35) HRH3KCNH2FKBP1ACPT2CPT1A
SCHEMBL2075145 0.79 NPSR1 (0.34) HRH3KCNH2CPT2CPT1A
SCHEMBL16498951 0.71 CA2 (0.38) HRH3KCNH2ALDH1A1
SCHEMBL2073379 0.70 NTSR2 (0.36) FKBP1AALDH1A1
SCHEMBL2073382 0.70 NTSR2 (0.36) FKBP1AALDH1A1
SCHEMBL2072723 0.70 NTSR2 (0.36) FKBP1AALDH1A1
SCHEMBL2072725 0.70 NTSR2 (0.36) FKBP1AALDH1A1
SCHEMBL2072505 0.69 USP30 (0.46) ALDH1A1
SCHEMBL2036347 0.68 CHRM2 (0.37) HRH3KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R OPRM1 332/4885OPRK1 337/4885OPRD1 240/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R OPRM1 332/4885OPRK1 337/4885OPRD1 240/4885

“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.