SCHEMBL5625864

SCHEMBL5625864

CC(C)(C)OC(=O)N1CCc2cc(-n3ccncc3=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.41
CYP11B1 P15538 7/20 0.41
DHODH Q02127 1/20 0.41
GPR119 Q8TDV5 6/20 0.40
BRD4 O60885 1/20 0.39
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
MPO P05164 1/20 0.38

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
SCHEMBL1998284 0.84 F10 (0.43) CYP11B2CYP11B1DHODHGPR119BRD4
SCHEMBL6494664 0.81 GPR119 (0.41) CYP11B2DHODHGPR119BRD4MPO
SCHEMBL30681413 0.78 GPR119 (0.49) CYP11B2CYP11B1DHODHGPR119BRD4
SCHEMBL994201 0.78 CYP11B1 (0.43) CYP11B2CYP11B1GPR119HTR2C
SCHEMBL5626038 0.77 CYP11B2 (0.44) CYP11B2CYP11B1HTR2CHTR2A
SCHEMBL5626045 0.77 CYP11B2 (0.47) CYP11B2CYP11B1HTR2CHTR2A
SCHEMBL6506289 0.77 F10 (0.52) CYP11B2DHODHGPR119BRD4MPO
SCHEMBL8340084 0.77 CYP1A2 (0.46) CYP11B2CYP11B1HTR2CHTR2A
SCHEMBL6492585 0.77 F10 (0.53) CYP11B2DHODHGPR119MPO
SCHEMBL30681471 0.76 DRD3 (0.46) DHODHGPR119BRD4

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-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 WO disclosed
EP-1571154-A1 Beta-aminoacid-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP 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-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 CYP11B2 3430/4885CYP11B1 3225/4885DHODH 3446/4885

“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.