SCHEMBL3494831

SCHEMBL3494831

CCOC(=O)CCc1cc(OC)c(OC)c(-n2c(C)cc(C(=O)O)c2-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 2/20 0.40
NTRK1 P04629 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
FAAH O00519 1/20 0.38
NOTUM Q6P988 1/20 0.38
GALR3 O60755 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3494924 0.90 KMT2A (0.45) KMT2AATMNPC1RAB9AALOX5
SCHEMBL3494927 0.81 KMT2A (0.43) KMT2AATMNPC1RAB9AALOX5
SCHEMBL3495101 0.80 CA1 (0.38) KMT2AATMMEN1
SCHEMBL3494052 0.77 NOTUM (0.55) KMT2AATMALDH1A1GAAMEN1
SCHEMBL3495080 0.77 NOTUM (0.45) ALDH1A1NOTUMTDP1
SCHEMBL8235805 0.76 ALDH1A1 (0.50) KMT2AALDH1A1GAAMEN1
SCHEMBL3493425 0.75 MAPT (0.53) KMT2ARAB9AALDH1A1GAAMEN1
SCHEMBL3491782 0.75 MAPT (0.44) KMT2AALDH1A1GAAMEN1NOTUM
SCHEMBL491077 0.74 ALDH1A1 (0.62) KMT2AALDH1A1GAAMEN1
SCHEMBL28639229 0.71 PPARG (0.63) KMT2AALOX5ALDH1A1MEN1

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 KMT2A 952/4885ATM 2412/4885NPC1 3189/4885

“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.