SCHEMBL12802407

SCHEMBL12802407

CC(C)(C)OC(=O)NC1(C(=O)NC2(C#N)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.52
CTSK P43235 8/20 0.43
CTSS P25774 6/20 0.43
CTSB P07858 5/20 0.43
RET P07949 4/20 0.36
CTSC P53634 1/20 0.35
GHSR Q92847 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
BDKRB1 P46663 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
SCHEMBL6185767 0.93 CTSB (0.52) CTSLCTSKCTSSCTSBRET
SCHEMBL2394821 0.87 CTSL (0.59) CTSLCTSKCTSSCTSBCTSC
SCHEMBL1586413 0.81 CTSL (0.53) CTSLCTSKCTSSCTSBCTSC
SCHEMBL29056863 0.78 CTSL (0.51) CTSLCTSKCTSSCTSBCTSC
SCHEMBL2061868 0.77 MEN1 (0.37) CTSLCTSKGHSRMEN1MAPK1
SCHEMBL14499840 0.77 CTSL (0.50) CTSLCTSKCTSSCTSBCTSC
SCHEMBL25325756 0.76 MEN1 (0.36) CTSLGHSRMEN1MAPK1KMT2A
SCHEMBL12802333 0.75 SPHK1 (0.35) CTSLGHSRMEN1MAPK1KMT2A
SCHEMBL8775458 0.74 MME (0.38) CTSLCTSKCTSSCTSBGHSR
SCHEMBL22148287 0.74 GHSR (0.36) CTSLCTSSCTSBRETGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445909-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2013-11-13 EP disclosed
EP-2445909-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2013-11-13 EP disclosed
US-8575360-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-20120252817-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 US disclosed
US-20120252817-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 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 (1 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-20120252817-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES ARG1, COL14A1, HPGDS CTSL 1071/4885CTSK 922/4885CTSS 385/4885

“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.