SCHEMBL3493458

SCHEMBL3493458

O=C(O)N1CCN(C(=O)O)[C@H](Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.43
CA2 P00918 15/20 0.43
CA4 P22748 15/20 0.43
CA9 Q16790 15/20 0.43
ABHD6 Q9BV23 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37

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
SCHEMBL3494155 0.84 CA1 (0.54) CA1CA2CA4CA9NR1H2
SCHEMBL8235972 0.83 ABHD6 (0.53) CA1CA2CA4CA9ABHD6
SCHEMBL3493659 0.80 NR1H2 (0.40) CA1CA2CA4CA9ABHD6
SCHEMBL3495710 0.79 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL3493877 0.79 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL3493931 0.78 CA1 (0.39) CA1CA2CA4CA9ABHD6
SCHEMBL4752512 0.75 CA1 (0.42) CA1CA2CA4CA9
SCHEMBL3493972 0.75 CA1 (0.42) CA1CA2CA4CA9
SCHEMBL3493250 0.75 FAAH (0.43) CA1CA2CA4CA9DRD4
SCHEMBL3496196 0.73 RAB9A (0.44) CA1CA2CA4CA9

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (3 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 CA1 2606/4885CA2 1023/4885CA4 1470/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.