SCHEMBL3495294

SCHEMBL3495294

COc1cccc(-n2ncc(C(=O)O)c2C2CCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 19/20 0.67
KEAP1 Q14145 18/20 0.67
NSD2 O96028 1/20 0.52
NSD1 Q96L73 1/20 0.52
NSD3 Q9BZ95 1/20 0.52
LPAR5 Q9H1C0 1/20 0.52
HPSE Q9Y251 1/20 0.52

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
SCHEMBL3496263 0.90 KEAP1 (0.58) NFE2L2KEAP1NSD2NSD1NSD3
SCHEMBL3491956 0.84 KEAP1 (0.86) NFE2L2KEAP1
SCHEMBL18733485 0.84 NFE2L2 (0.73) NFE2L2KEAP1
SCHEMBL18706644 0.81 NFE2L2 (0.71) NFE2L2KEAP1
SCHEMBL3493057 0.79 NFE2L2 (0.58) NFE2L2KEAP1
SCHEMBL3494108 0.79 KEAP1 (0.64) NFE2L2KEAP1
SCHEMBL6313505 0.78 RAB9A (0.67) NFE2L2KEAP1
SCHEMBL18707350 0.78 NFE2L2 (0.59) NFE2L2KEAP1
SCHEMBL3493020 0.78 HCRTR1 (0.47) NFE2L2KEAP1
SCHEMBL18733521 0.78 NFE2L2 (0.57) NFE2L2KEAP1

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 NFE2L2 1103/4885KEAP1 488/4885NSD2 1387/4885

“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.