SCHEMBL3493764

SCHEMBL3493764

O=CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.49
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 4/20 0.48
CA9 Q16790 4/20 0.48
SIGMAR1 Q99720 2/20 0.45
DPP4 P27487 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL15279943 1.00 AGTR2 (0.49) AGTR2CA1CA2CA4CA9
SCHEMBL18894086 1.00 AGTR2 (0.49) AGTR2CA1CA2CA4CA9
SCHEMBL14371959 0.90 AGTR2 (0.47) AGTR2CA1CA2CA4CA9
SCHEMBL4286502 0.85 SMN1; SMN2 (0.48) AGTR2CA1CA2CA4CA9
SCHEMBL4286507 0.85 SMN1; SMN2 (0.48) AGTR2CA1CA2CA4CA9
SCHEMBL28429511 0.85 SIGMAR1 (0.54) AGTR2CA1CA2CA4CA9
SCHEMBL28429512 0.85 SIGMAR1 (0.54) AGTR2CA1CA2CA4CA9
SCHEMBL3494525 0.85 CA1 (0.63) AGTR2CA1CA2CA4CA9
SCHEMBL3496353 0.85 SIGMAR1 (0.54) AGTR2CA1CA2CA4CA9
SCHEMBL22122721 0.83 CA1 (0.53) AGTR2CA1CA2CA4CA9

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 AGTR2 3/4885CA1 2606/4885CA2 1023/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT AGTR2 5/4885CA1 2275/4885CA2 218/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT AGTR2 5/4885CA1 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.