SCHEMBL3493543

SCHEMBL3493543

Cc1nc(C(=O)O)c(-c2ccccc2)n1-c1cccc(N2CCOCC2)c1.[LiH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.52
KMO O15229 1/20 0.49
MDM2 Q00987 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CFTR P13569 6/20 0.46
ATR Q13535 1/20 0.44
AHR P35869 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 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
SCHEMBL3493826 0.99 PIM1 (0.53) PIM1KMOMDM2KDM4EALDH1A1
Lithium Ion SCHEMBL3493542 0.89 PIM1 (0.45) PIM1KMOKDM4EALDH1A1MEN1
SCHEMBL3493263 0.87 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL3492470 0.77 HCRTR1 (0.39) PIM1ALDH1A1POLBPKMHCRTR1
SCHEMBL3491780 0.76 KMO (0.52) PIM1KMOKDM4EALDH1A1MEN1
SCHEMBL8239214 0.76 ALDH1A1 (0.53) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL4988227 0.76 PIM1 (0.35) PIM1KMOALDH1A1CFTRATR
SCHEMBL4988222 0.75 PIM1 (0.34) PIM1KDM4EALDH1A1CFTRATR
SCHEMBL885660 0.74 KMO (0.52) PIM1KMOALDH1A1MAPTSMN1; SMN2
SCHEMBL8229740 0.72 KMO (0.47) PIM1KMOKDM4EALDH1A1MEN1

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 3 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
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 PIM1 4338/4885KMO 501/4885MDM2 3846/4885

“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.