SCHEMBL2075142

SCHEMBL2075142

CC(C#N)N(C(=O)C1CCCN1C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.42
UCHL1 P09936 7/20 0.42
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MME P08473 1/20 0.39
MMEL1 Q495T6 1/20 0.39
ACE P12821 1/20 0.38
FASN P49327 1/20 0.38

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
SCHEMBL2072192 0.87 USP30 (0.54) USP30UCHL1
SCHEMBL2074879 0.82 PIK3CD (0.40) USP30UCHL1ACEFASN
SCHEMBL2073459 0.79 USP30 (0.37) USP30UCHL1
SCHEMBL28763816 0.70 POLQ (0.52)
SCHEMBL4652058 0.69 KDM2B (0.50) DPP4FASN
SCHEMBL1751394 0.69 KDM2B (0.50) DPP4FASN
SCHEMBL2075139 0.69 CTSC (0.60) DPP4FAPDPP8DPP9DPP7
SCHEMBL3662346 0.69 KMT2A (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL11770803 0.68 LMNA (0.46) KCNH2
SCHEMBL17775471 0.67 STAT6 (0.50) DPP4FAPDPP8DPP9DPP7

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 USP30 3892/4885UCHL1 4197/4885DPP4 2507/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R USP30 3892/4885UCHL1 4197/4885DPP4 2507/4885

“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.