SCHEMBL3494459

SCHEMBL3494459

O=C(O)c1c(-c2ccccc2)c(-c2ccccc2)nn1Cc1cccc(-n2cccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.41
ALDH1A1 P00352 4/20 0.40
FFAR4 Q5NUL3 1/20 0.39
PTGIR P43119 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3494046 0.86 F2RL3 (0.49) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL3494751 0.85 ALDH1A1 (0.52) ALDH1A1PTGIRGAAMEN1KMT2A
SCHEMBL3492508 0.70 F2RL3 (0.61) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL7777766 0.70 HTR7 (0.48)
SCHEMBL7778202 0.70 PTGS2 (0.60) MEN1KMT2ASMN1; SMN2
SCHEMBL7778046 0.70 PTGS2 (0.52)
SCHEMBL8235877 0.69 ALDH1A1 (0.39) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL7773087 0.69 PTGS2 (0.48) KMT2ALMNA
SCHEMBL5173838 0.68 SERPINE1 (0.57) MEN1KMT2AMAPT
SCHEMBL8890615 0.66 HTT (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1

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-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-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 (1 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 AOC2 70/4885ALDH1A1 1062/4885FFAR4 3526/4885

“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.