SCHEMBL3493058

SCHEMBL3493058

N#Cc1ccc(C[C@@H]2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
HRH3 Q9Y5N1 1/20 0.49
CCR2 P41597 1/20 0.47
MLNR O43193 4/20 0.45
THRB P10828 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
USP2 O75604 2/20 0.44
FAAH O00519 1/20 0.44
OPRM1 P35372 1/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL3505358 1.00 LTA4H (0.61) LTA4HHRH3CCR2MLNRTHRB
SCHEMBL18325 0.89 LTA4H (0.61) LTA4HSIGMAR1CYP3A4ALDH1A1CYP1A2
SCHEMBL24350 0.89 LTA4H (0.61) LTA4HSIGMAR1CYP3A4ALDH1A1CYP1A2
SCHEMBL3491795 0.89 LTA4H (0.61) LTA4HSIGMAR1CYP3A4ALDH1A1CYP1A2
SCHEMBL5361052 0.85 LTA4H (0.58) LTA4HSIGMAR1CYP3A4MEN1ALDH1A1
SCHEMBL6099454 0.85 LTA4H (0.58) LTA4HSIGMAR1CYP3A4MEN1ALDH1A1
SCHEMBL4290430 0.85 LTA4H (0.58) LTA4HSIGMAR1ALDH1A1DRD2CYP2D6
Piperazine SCHEMBL6099611 0.85 SIGMAR1 (0.58) LTA4HHRH3CCR2SIGMAR1CYP3A4
SCHEMBL4473706 0.85 CNR2 (0.57) LTA4HSIGMAR1DRD2CYP2D6
SCHEMBL4473704 0.85 CNR2 (0.57) LTA4HSIGMAR1DRD2CYP2D6

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 11 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-20100210635-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
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
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 2125/4885HRH3 16/4885CCR2 2421/4885
US-20100210635-A1 RENIN INHIBITORS REN, ACE, AGT LTA4H 608/4885HRH3 1715/4885CCR2 4301/4885

“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.