SCHEMBL3493822

SCHEMBL3493822

COC(=O)c1ncn(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
FAAH O00519 1/20 0.46
PIM1 P11309 1/20 0.45
ATR Q13535 1/20 0.45
KMO O15229 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PDE7A Q13946 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE10A Q9Y233 1/20 0.43
CYP3A4 P08684 2/20 0.42
USP2 O75604 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
SCHEMBL8229740 0.88 KMO (0.47) ALDH1A1KDM4EMAPK1KMT2AMAPT
SCHEMBL3491780 0.88 KMO (0.52) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL12479493 0.75 MEN1 (0.61) ALDH1A1KDM4EMAPK1KMT2AMAPT
SCHEMBL6752611 0.75 FGFR1 (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL5140406 0.74 CPT1A (0.38) FAAHPIM1ATRKMOCYP3A4
SCHEMBL3495628 0.74 CPT1A (0.38) FAAHPIM1ATRKMOCYP3A4
SCHEMBL3492277 0.73 CA1 (0.43) ATRCYP3A4PRKDC
SCHEMBL3493643 0.73 KIF11 (0.40) PIM1ATRKMOPRKDC
Hydrochloric Acid SCHEMBL3493933 0.73 CA1 (0.42) ATRCYP3A4PRKDC
SCHEMBL4250883 0.72 KMO (0.68) ALDH1A1KMT2AMAPTMEN1NPC1

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 5 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

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 ALDH1A1 1062/4885KDM4E 780/4885MAPK1 1315/4885

“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.