SCHEMBL2075145

SCHEMBL2075145

N#CC1(N(C(=O)C2CCCCN2C(=O)O)c2ccc(Br)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
DPP7 Q9UHL4 2/20 0.33
DPP4 P27487 2/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM3 P20309 2/20 0.32
USP30 Q70CQ3 1/20 0.32
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
GHSR Q92847 1/20 0.31

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
SCHEMBL2072505 0.85 USP30 (0.46) NPSR1USP30
SCHEMBL2074628 0.81 GHSR (0.35) KCNH2HRH3TP53GAACHRM2
SCHEMBL2072728 0.79 OPRM1 (0.36) KCNH2HRH3CPT2CPT1A
SCHEMBL16498951 0.73 CA2 (0.38) KCNH2HRH3DPP7DPP4FAP
SCHEMBL2036347 0.69 CHRM2 (0.37) KCNH2HRH3DPP7DPP4FAP
SCHEMBL2075143 0.68 CTSC (0.41) DPP7DPP4FAPDPP8DPP9
SCHEMBL2075140 0.68 CTSC (0.41) DPP7DPP4FAPDPP8DPP9
SCHEMBL2073365 0.67 UCHL1 (0.43) NPSR1USP30
SCHEMBL2073459 0.66 USP30 (0.37) USP30CPT2CPT1A
SCHEMBL23236422 0.65 ALDH1A1 (0.44)

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 NPSR1 80/4885KCNH2 2084/4885HRH3 190/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R NPSR1 80/4885KCNH2 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.