SCHEMBL1106265

SCHEMBL1106265

CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1OC(=O)N[C@@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 20/20 0.73
ABCB11 O95342 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
SLC6A2 P23975 1/20 0.73
GPR183 P32249 1/20 0.73
OPRM1 P35372 1/20 0.73
KCNH2 Q12809 1/20 0.73
GPR35 Q9HC97 1/20 0.73

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
SCHEMBL1106234 1.00 F2R (0.73) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL1106245 0.90 F2R (0.73) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL1106151 0.90 F2R (0.73) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL1106297 0.88 F2R (0.74) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL1106231 0.88 F2R (0.70) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL1106255 0.88 F2R (0.70) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL1106239 0.88 F2R (0.70) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL1106225 0.88 F2R (0.74) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL1106153 0.88 F2R (0.70) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL1106279 0.87 F2R (0.81) F2RABCB11ADORA3CHRM1SLC6A2

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-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
WO-2008042422-A2 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2008-04-10 WO 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 F2R 6/4885ABCB11 1535/4885ADORA3 565/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 F2R 6/4885ABCB11 1485/4885ADORA3 589/4885

“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.