SCHEMBL3918801

SCHEMBL3918801

CC(C)(C)[C@@H](O)C(=O)N1CC2CC1(C(=O)NCc1cc(Cl)ccc1-n1cnnn1)C2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.63
F2 P00734 15/20 0.47
PRSS1 P07477 2/20 0.47
F9 P00740 1/20 0.47
F10 P00742 1/20 0.47
PLAT P00750 1/20 0.47
F11 P03951 1/20 0.47
KLKB1 P03952 1/20 0.47
F7 P08709 1/20 0.47
TBXA2R P21731 1/20 0.47
PRSS3 P35030 1/20 0.47
MASP2 O00187 1/20 0.45
KCNH2 Q12809 2/20 0.42

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
SCHEMBL4194819 0.91 CYP3A4 (0.54) CYP3A4F2PRSS1F9F10
SCHEMBL4204069 0.91 CYP3A4 (0.54) CYP3A4F2PRSS1F9F10
SCHEMBL4553217 0.91 CYP3A4 (0.54) CYP3A4F2PRSS1F9F10
SCHEMBL4206468 0.90 CYP3A4 (0.53) CYP3A4F2PRSS1F9F10
SCHEMBL4200083 0.87 CYP3A4 (0.50) CYP3A4F2PRSS1F9F10
SCHEMBL4209391 0.86 CYP3A4 (0.63) CYP3A4F2PRSS1F9F10
SCHEMBL3918245 0.85 MASP2 (0.57) CYP3A4F2PRSS1F9F10
SCHEMBL4205234 0.85 F2 (0.55) CYP3A4F2PRSS1F9F10
SCHEMBL3924218 0.85 F2 (0.53) CYP3A4F2PRSS1F9F10
SCHEMBL4203359 0.85 CYP3A4 (0.59) CYP3A4F2PRSS1F9F10

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-20090012087-A1 New Aza-Bicyclohexane Compounds Useful As Inhibitors Of Thrombin ASTRAZENECA AB (SE) 2009-01-08 US claimed
WO-2009004383-A2 AZA-BICYCLOHEXANE COMPOUNDS USEFUL AS ANTICOAGULANTS ASTRAZENECA AB (SE) 2009-01-08 WO claimed
US-20090012087-A1 New Aza-Bicyclohexane Compounds Useful As Inhibitors Of Thrombin ASTRAZENECA AB (SE) 2009-01-08 US disclosed
WO-2009004383-A2 AZA-BICYCLOHEXANE COMPOUNDS USEFUL AS ANTICOAGULANTS ASTRAZENECA AB (SE) 2009-01-08 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 (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-20090012087-A1 New Aza-Bicyclohexane Compounds Useful As Inhibitors Of Thrombin TFPI, TFPI2, ADAMTS1 CYP3A4 228/4885F2 23/4885PRSS1 17/4885

“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.