SCHEMBL3491145

SCHEMBL3491145

C(=C/[C@@H]1CN(Cc2ccccc2)CCN1)\C1CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
LTA4H P09960 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
ACHE P22303 6/20 0.43
BCHE P06276 3/20 0.43
BACE1 P56817 3/20 0.43
CCR3 P51677 1/20 0.41
SLC18A3 Q16572 1/20 0.40

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
SCHEMBL3491147 1.00 SIGMAR1 (0.47) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL13705086 0.83 SIGMAR1 (0.47) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL7247422 0.81 SIGMAR1 (0.51) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL8235679 0.78 LTA4H (0.45) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL4284135 0.78 SIGMAR1 (0.42) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL4284132 0.78 SIGMAR1 (0.42) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3493627 0.77 LTA4H (0.44) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3493621 0.77 LTA4H (0.44) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL1307820 0.74 SIGMAR1 (0.58) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL1826258 0.74 SIGMAR1 (0.58) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6

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 14 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-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-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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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
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
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 SIGMAR1 1463/4885LTA4H 2125/4885CYP1A2 588/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885LTA4H 1197/4885CYP1A2 89/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885LTA4H 1197/4885CYP1A2 89/4885

“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.