SCHEMBL2394300

SCHEMBL2394300

C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)N[C@H](CC(N)=O)C(=O)N3CC(F)(F)C3)n21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.55
TMEM97 Q5BJF2 1/20 0.54
ITGB2 P05107 18/20 0.49
ICAM1 P05362 18/20 0.49

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
SCHEMBL2396088 1.00 ITGAL (0.55) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804273 0.92 ITGAL (0.51) ITGALTMEM97ITGB2ICAM1
SCHEMBL2393177 0.89 TMEM97 (0.58) ITGALTMEM97ITGB2ICAM1
SCHEMBL2397897 0.89 TMEM97 (0.58) ITGALTMEM97ITGB2ICAM1
SCHEMBL2393184 0.89 TMEM97 (0.58) ITGALTMEM97ITGB2ICAM1
SCHEMBL12310478 0.85 ITGAL (0.38) ITGALTMEM97ITGB2ICAM1
SCHEMBL2390306 0.83 TMEM97 (0.59) ITGALTMEM97ITGB2ICAM1
SCHEMBL2390313 0.83 TMEM97 (0.59) ITGALTMEM97ITGB2ICAM1
SCHEMBL2392729 0.82 ITGAL (0.64) ITGALTMEM97ITGB2ICAM1
SCHEMBL2392723 0.82 ITGAL (0.64) ITGALTMEM97ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 ITGAL 74/4885TMEM97 3442/4885ITGB2 346/4885

“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.