SCHEMBL3496196

SCHEMBL3496196

CCOC(=O)c1ccc(C[C@@H]2CN(C(=O)O)CCN2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA4 P22748 10/20 0.43
CA9 Q16790 10/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3493651 0.91 CA1 (0.41) CA1CA2CA4CA9MAPK1
SCHEMBL4972736 0.83 LMNA (0.57) RAB9ACA1CA2CA4CA9
SCHEMBL8240541 0.82 PARP1 (0.49) RAB9ASMN1; SMN2
SCHEMBL3495710 0.79 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL3493877 0.79 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL3494272 0.79 OPRD1 (0.45) CA1CA2CA4CA9MAPK1
SCHEMBL3493972 0.76 CA1 (0.42) CA1CA2CA4CA9
SCHEMBL4752512 0.76 CA1 (0.42) CA1CA2CA4CA9
SCHEMBL3493250 0.76 FAAH (0.43) CA1CA2CA4CA9
SCHEMBL4285295 0.75 ALDH1A1 (0.47) RAB9ASMN1; SMN2TDP1HTT

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 6 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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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 RAB9A 656/4885CA1 2606/4885CA2 1023/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RAB9A 1247/4885CA1 2275/4885CA2 218/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RAB9A 1247/4885CA1 2275/4885CA2 218/4885

“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.