SCHEMBL3493797

SCHEMBL3493797

Oc1ccc(CC2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
ACHE P22303 3/20 0.51
BACE1 P56817 3/20 0.51
BCHE P06276 2/20 0.51
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
SIGMAR1 Q99720 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CCR3 P51677 1/20 0.43
GRIN2B Q13224 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
SCHEMBL3493753 1.00 LTA4H (0.57) LTA4HACHEBACE1BCHEDRD4
Hydrochloric Acid SCHEMBL4321756 0.99 LTA4H (0.56) LTA4HACHEBACE1BCHEDRD4
SCHEMBL3491795 0.92 LTA4H (0.61) LTA4HACHEBACE1BCHESIGMAR1
SCHEMBL24350 0.92 LTA4H (0.61) LTA4HACHEBACE1BCHESIGMAR1
SCHEMBL18325 0.92 LTA4H (0.61) LTA4HACHEBACE1BCHESIGMAR1
SCHEMBL6099454 0.88 LTA4H (0.58) LTA4HACHEBACE1BCHEDRD4
SCHEMBL5361052 0.88 LTA4H (0.58) LTA4HACHEBACE1BCHEDRD4
SCHEMBL4290430 0.88 LTA4H (0.58) LTA4HDRD4DRD2SIGMAR1CA1
Piperazine SCHEMBL6099611 0.87 SIGMAR1 (0.58) LTA4HSIGMAR1CA1CA2CA4
SCHEMBL3555350 0.86 LTA4H (0.57) LTA4HACHEBACE1BCHESIGMAR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210635-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 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-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
EP-1999117-A2 RENIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-12-10 EP 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-2007117961-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 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
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 (2 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 2125/4885ACHE 1245/4885BACE1 1402/4885
US-20100210635-A1 RENIN INHIBITORS REN, ACE, AGT LTA4H 608/4885ACHE 145/4885BACE1 212/4885

“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.