SCHEMBL4199551

SCHEMBL4199551

O=C([C@H](O)C1CCCCC1)N1CC[C@@H]2C[C@@]21C(=O)NCc1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.51
CYP3A4 P08684 2/20 0.47
F11 P03951 5/20 0.45
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
PLAT P00750 1/20 0.45
KLKB1 P03952 1/20 0.45
PRSS1 P07477 1/20 0.45
F7 P08709 1/20 0.45
TBXA2R P21731 1/20 0.45
PRSS3 P35030 1/20 0.45
MASP2 O00187 1/20 0.40

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
SCHEMBL4203359 0.88 CYP3A4 (0.59) F2CYP3A4F11F9F10
SCHEMBL4200930 0.86 CYP3A4 (0.61) F2CYP3A4F11F9F10
SCHEMBL3924218 0.86 F2 (0.53) F2CYP3A4F11F9F10
SCHEMBL4199158 0.85 CYP3A4 (0.52) F2CYP3A4F11F9F10
SCHEMBL4196730 0.84 CYP3A4 (0.51) F2CYP3A4F11F9F10
SCHEMBL643221 0.77 CYP3A4 (0.54) F2CYP3A4F11F9F10
SCHEMBL642552 0.77 CYP3A4 (0.74) F2CYP3A4F11F9F10
SCHEMBL643134 0.77 CYP3A4 (0.54) F2CYP3A4F11F9F10
SCHEMBL4197680 0.76 CYP3A4 (0.54) F2CYP3A4F11F9F10
SCHEMBL4202333 0.76 CYP3A4 (0.76) F2CYP3A4F11F9F10

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 5 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
US-20090012087-A1 New Aza-Bicyclohexane Compounds Useful As Inhibitors Of Thrombin ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20090012087-A1 New Aza-Bicyclohexane Compounds Useful As Inhibitors Of Thrombin ASTRAZENECA AB (SE) 2009-01-08 US disclosed
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 F2 23/4885CYP3A4 228/4885F11 101/4885

“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.