SCHEMBL2074628

SCHEMBL2074628

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.35
KCNH2 Q12809 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
CHRM2 P08172 2/20 0.33
CHRM3 P20309 2/20 0.33
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FKBP1A P62942 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2072728 0.86 OPRM1 (0.36) KCNH2HRH3CPT2CPT1ASIGMAR1
SCHEMBL2075145 0.81 NPSR1 (0.34) GHSRKCNH2HRH3CHRM2CHRM3
SCHEMBL16498951 0.76 CA2 (0.38) KCNH2HRH3CHRM2CHRM3MEN1
SCHEMBL2036347 0.70 CHRM2 (0.37) KCNH2HRH3CHRM2CHRM3
SCHEMBL2072505 0.68 USP30 (0.46) MEN1KMT2A
SCHEMBL2074625 0.67 NTSR2 (0.37) GHSRMEN1KMT2AFKBP1A
SCHEMBL2074624 0.67 NTSR2 (0.37) GHSRMEN1KMT2AFKBP1A
SCHEMBL23236422 0.66 ALDH1A1 (0.44) L3MBTL3L3MBTL1
SCHEMBL1986725 0.65 ALDH1A1 (0.37) L3MBTL3L3MBTL1
SCHEMBL14323200 0.64 DGAT1 (0.35) KMT2A

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 GHSR 473/4885KCNH2 2084/4885HRH3 190/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R GHSR 473/4885KCNH2 2084/4885HRH3 190/4885

“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.