SCHEMBL3494366

SCHEMBL3494366

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.50
TEAD3 Q99594 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KCNA5 P22460 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 6/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
RAB9A P51151 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL4284550 0.93 TEAD1 (0.46) TEAD1TEAD3MEN1KMT2AKCNA5
SCHEMBL4286026 0.88 HPGD (0.49) KMT2AKCNA5SMN1; SMN2KDM4EALDH1A1
SCHEMBL4281983 0.88 L3MBTL1 (0.48) TEAD1TEAD3MEN1KMT2AKCNA5
SCHEMBL4281940 0.88 KCNA5 (0.46) MEN1KMT2AKCNA5ALDH1A1RAB9A
SCHEMBL4286428 0.88 HCRTR1 (0.47) KCNA5SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4288979 0.88 GPR183 (0.47) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4285825 0.87 KCNA5 (0.49) MEN1KCNA5ALDH1A1MAPT
SCHEMBL4287625 0.87 KDM4E (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL4285970 0.87 KDM4E (0.51) KMT2AKDM4EALDH1A1GAATSHR
SCHEMBL4290686 0.87 ENPP2 (0.43) TEAD1TEAD3ALDH1A1

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 (3 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 TEAD1 3622/4885TEAD3 3027/4885MEN1 750/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TEAD1 2143/4885TEAD3 1323/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TEAD1 2143/4885TEAD3 1323/4885MEN1 1254/4885

“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.