SCHEMBL3493263

SCHEMBL3493263

CCOC(=O)c1nc(C)n(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
LMNA P02545 1/20 0.52
DGAT1 O75907 9/20 0.49
SOAT1 P35610 8/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
JMJD6 Q6NYC1 1/20 0.47
MTOR P42345 3/20 0.47
ALOX15 P16050 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
DNMT1 P26358 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46

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
SCHEMBL8239214 0.90 ALDH1A1 (0.53) ALDH1A1KDM4ELMNADGAT1SOAT1
SCHEMBL3493826 0.88 PIM1 (0.53) ALDH1A1KDM4ELMNAL3MBTL1MEN1
SCHEMBL3493543 0.87 PIM1 (0.52) ALDH1A1KDM4ELMNAL3MBTL1MEN1
Lithium Ion SCHEMBL3493542 0.85 PIM1 (0.45) ALDH1A1KDM4ELMNAL3MBTL1MEN1
SCHEMBL885677 0.80 ALDH1A1 (0.53) ALDH1A1KDM4ELMNADGAT1SOAT1
SCHEMBL3492470 0.75 HCRTR1 (0.39) ALDH1A1POLB
SCHEMBL4988227 0.74 PIM1 (0.35) ALDH1A1LMNAMAPTGAA
SCHEMBL8698430 0.74 KMO (0.63) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL3494686 0.72 ALDH1A1 (0.52) ALDH1A1KDM4ELMNADGAT1SOAT1
SCHEMBL9893742 0.72 MDM2 (0.72) ALDH1A1LMNAALOX15MAPT

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 4 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
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 780/4885LMNA 201/4885

“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.