SCHEMBL2072191

SCHEMBL2072191

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.53
USP30 Q70CQ3 2/20 0.49
ACE P12821 1/20 0.48
MME P08473 1/20 0.48
MMEL1 Q495T6 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTRB1 P17538 1/20 0.47
CTSK P43235 2/20 0.46
NPC1 O15118 1/20 0.46
CTSS P25774 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CTSH P09668 1/20 0.46
CYP2D6 P10635 1/20 0.46
CMA1 P23946 4/20 0.46
DPP4 P27487 1/20 0.46
FAP Q12884 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46

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
SCHEMBL2072188 1.00 CTSC (0.53) CTSCUSP30ACEMMEMMEL1
SCHEMBL2072370 0.90 CTSC (0.47) CTSCCTSKNPC1CMA1LMNA
SCHEMBL2072367 0.90 CTSC (0.47) CTSCCTSKNPC1CMA1LMNA
SCHEMBL2075139 0.86 CTSC (0.60) CTSCMMEMMEL1CTSKCYP1A2
SCHEMBL7858085 0.86 CTSC (0.55) CTSCMEN1KMT2ACTSK
SCHEMBL2073444 0.86 CTSC (0.48) CTSCMEN1KMT2ACTSKNPC1
SCHEMBL2073446 0.86 CTSC (0.48) CTSCMEN1KMT2ACTSKNPC1
SCHEMBL8035777 0.86 MEN1 (0.50) USP30ACEMMEMMEL1MEN1
SCHEMBL5050554 0.86 CTRB1 (0.53) ACEMEN1KMT2ACTRB1NPC1
SCHEMBL12383351 0.85 CTSC (0.53) CTSCCTSK

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 9 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-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
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-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 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
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 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 CTSC 3209/4885USP30 3892/4885ACE 1597/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885USP30 3892/4885ACE 1597/4885

“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.