SCHEMBL4198532

SCHEMBL4198532

N[C@@H](C(=O)N1[C@H](C(=O)NCc2cc(Cl)ccc2-n2cnnn2)C[C@@H]2C[C@@H]21)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.54
PRSS1 P07477 2/20 0.54
F11 P03951 2/20 0.54
KLKB1 P03952 2/20 0.54
F9 P00740 1/20 0.54
F10 P00742 1/20 0.54
PLAT P00750 1/20 0.54
F7 P08709 1/20 0.54
TBXA2R P21731 1/20 0.54
PRSS3 P35030 1/20 0.54
CYP3A4 P08684 5/20 0.54
KCNH2 Q12809 3/20 0.49
MASP2 O00187 1/20 0.44
F12 P00748 1/20 0.41

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
Hydrochloric Acid SCHEMBL4203009 0.99 F2 (0.54) F2PRSS1F11KLKB1F9
SCHEMBL3924327 0.93 CYP3A4 (0.62) F2PRSS1F11KLKB1F9
SCHEMBL4207332 0.91 CYP3A4 (0.57) F2PRSS1F11KLKB1F9
SCHEMBL4199829 0.88 CYP3A4 (0.54) F2PRSS1F11KLKB1F9
SCHEMBL4204855 0.88 CYP3A4 (0.54) F2PRSS1F11KLKB1F9
Hydrochloric Acid SCHEMBL4201962 0.87 CYP3A4 (0.53) F2PRSS1F11KLKB1F9
Hydrochloric Acid SCHEMBL4202871 0.87 CYP3A4 (0.53) F2PRSS1F11KLKB1F9
SCHEMBL4208081 0.86 CYP3A4 (0.53) F2PRSS1F11KLKB1F9
SCHEMBL4207051 0.85 CYP3A4 (0.56) F2PRSS1F11KLKB1F9
SCHEMBL4199134 0.85 CYP3A4 (0.56) F2PRSS1F11KLKB1F9

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-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

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 23/4885PRSS1 17/4885F11 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.