SCHEMBL3494493

SCHEMBL3494493

O=C(OC[C@@H]1CN(Cc2ccccc2)CCN1)N1CCN(Cc2ccccc2)C[C@H]1CO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
SIGMAR1 Q99720 2/20 0.44
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA9 Q16790 4/20 0.41
AGTR2 P50052 1/20 0.40
LMNA P02545 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
CHRM4 P08173 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL3494491 0.85 LTA4H (0.47) LTA4HSIGMAR1CA1CA2CA4
SCHEMBL28429511 0.77 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL3496353 0.77 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL28429512 0.77 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL28142979 0.77 LTA4H (0.60) LTA4HSIGMAR1BCHEACHEALDH1A1
SCHEMBL692066 0.77 LTA4H (0.60) LTA4HSIGMAR1BCHEACHEALDH1A1
SCHEMBL2062715 0.77 LTA4H (0.60) LTA4HSIGMAR1BCHEACHEALDH1A1
SCHEMBL8240100 0.76 SIGMAR1 (0.52) SIGMAR1CA1CA2CA4CA9
SCHEMBL12780700 0.76 SIGMAR1 (0.52) SIGMAR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL29701206 0.75 LTA4H (0.59) LTA4HSIGMAR1BCHEACHEALDH1A1

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 LTA4H 2125/4885SIGMAR1 1463/4885CA1 2606/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SIGMAR1 3163/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SIGMAR1 3163/4885CA1 2275/4885

“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.