SCHEMBL3491885

SCHEMBL3491885

O=C(O)c1ncn(CC(O)c2ccccn2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PKM P14618 2/20 0.43
GAA P10253 1/20 0.43
PTGS2 P35354 2/20 0.40
APAF1 O14727 1/20 0.38
AGER Q15109 3/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
BAX Q07812 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.35
IDO1 P14902 1/20 0.34
PTPRA P18433 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL3495526 0.87 ALDH1A1 (0.40) GAAPTGS2APAF1ALDH1A1CYP1A2
SCHEMBL3491785 0.84 PKM (0.47) TSHRPKMGAAPTGS2APAF1
SCHEMBL3494226 0.77 APAF1 (0.38) TSHRPKMGAAAPAF1ALDH1A1
SCHEMBL3494223 0.72 CYP2D6 (0.38) ALDH1A1CYP1A2BAXKDM4EPOLB
SCHEMBL5794357 0.70 PKM (0.52) TSHRPKMGAAPTGS2ALDH1A1
SCHEMBL4454418 0.67 ALDH1A1 (0.49) TSHRGAAALDH1A1CYP1A2KDM4E
SCHEMBL4454414 0.67 ALDH1A1 (0.49) TSHRGAAALDH1A1CYP1A2KDM4E
SCHEMBL20028090 0.66 NSD3 (0.50) TSHRPKMGAAPTGS2ALDH1A1
SCHEMBL4799247 0.65 DGAT1 (0.41) TSHRPKMGAAPTGS2
SCHEMBL25297365 0.65 PTPRA (0.56) TSHRGAAALDH1A1CYP1A2KDM4E

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 TSHR 684/4885PKM 1279/4885GAA 4262/4885

“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.