SCHEMBL1106170

SCHEMBL1106170

CC(C)(C)[C@@H]1NC(=O)C[C@@H]1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.33
CREBBP Q92793 3/20 0.33
EP300 Q09472 1/20 0.33
CRBN Q96SW2 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGB2 P05107 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30
ITGA5 P08648 1/20 0.30
ITGB5 P18084 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL24109471 1.00 BRD4 (0.33) BRD4CREBBPEP300CRBNITGB3
SCHEMBL24901934 0.79 BRD4 (0.32) BRD4CREBBP
SCHEMBL12408303 0.73
SCHEMBL24901819 0.72
SCHEMBL10110589 0.72 BRD4 (0.39) BRD4CREBBPEP300ITGB3ITGB2
SCHEMBL7688554 0.70
SCHEMBL7688553 0.70
SCHEMBL13515282 0.66
SCHEMBL22928100 0.65
SCHEMBL12217041 0.64 MAPK1 (0.33)

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-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS CHACKALAMANNIL SAMUEL (US) 2012-06-21 US disclosed
US-8153664-B2 thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer SCHERING CORPORATION (US) 2012-04-10 US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 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-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 BRD4 1293/4885CREBBP 2603/4885EP300 614/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 BRD4 1177/4885CREBBP 2901/4885EP300 731/4885

“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.