SCHEMBL3493181

SCHEMBL3493181

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.55
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
MEN1 O00255 1/20 0.45
TACR1 P25103 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HDAC4 P56524 1/20 0.44
KCNH2 Q12809 1/20 0.44
HDAC1 Q13547 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3493519 0.85 AGTR2 (0.50) AGTR2ALDH1A1SMN1; SMN2SIGMAR1CA1
SCHEMBL3493515 0.85 AGTR2 (0.50) AGTR2ALDH1A1SMN1; SMN2SIGMAR1CA1
SCHEMBL21383416 0.84 TEAD1 (0.51) ALDH1A1SIGMAR1LMNATACR1KDM4E
SCHEMBL8240513 0.82 AGTR2 (0.45) AGTR2ALDH1A1KMT2ALMNAMEN1
SCHEMBL12780709 0.82 AGTR2 (0.45) AGTR2ALDH1A1KMT2ALMNAMEN1
SCHEMBL3493764 0.82 AGTR2 (0.49) AGTR2ALDH1A1SMN1; SMN2SIGMAR1CA1
SCHEMBL18894086 0.82 AGTR2 (0.49) AGTR2ALDH1A1SMN1; SMN2SIGMAR1CA1
SCHEMBL15279943 0.82 AGTR2 (0.49) AGTR2ALDH1A1SMN1; SMN2SIGMAR1CA1
SCHEMBL14645770 0.81 MGLL (0.56) AGTR2ALDH1A1SIGMAR1
SCHEMBL3491909 0.80 CYP3A4 (0.47) AGTR2ALDH1A1SMN1; SMN2SIGMAR1KDM4E

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 3/4885ALDH1A1 1062/4885SMN1; SMN2 4730/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT AGTR2 5/4885ALDH1A1 388/4885SMN1; SMN2 4811/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT AGTR2 5/4885ALDH1A1 388/4885SMN1; SMN2 4811/4885

“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.