SCHEMBL3494237

SCHEMBL3494237

COC(=O)c1ncn(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.48
DRD2 P14416 9/20 0.48
DRD3 P35462 9/20 0.48
CHRM4 P08173 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
MAPK14 Q16539 1/20 0.44
FAAH O00519 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3491368 0.94 JAK2 (0.46) DRD4DRD2DRD3CHRM4KDM4E
SCHEMBL3493634 0.94 JAK2 (0.46) DRD4DRD2DRD3CHRM4KDM4E
SCHEMBL3495249 0.94 JAK2 (0.46) DRD4DRD2DRD3CHRM4KDM4E
SCHEMBL3494123 0.85 SLC6A4 (0.44) KDM4EMAPK14ACHEALDH1A1
SCHEMBL4293262 0.84 SLC6A3 (0.43) KDM4EHSD17B10ALDH1A1
SCHEMBL4294592 0.83 SLC6A3 (0.44) KDM4EHSD17B10MAPK14ALDH1A1
SCHEMBL4294596 0.83 SLC6A3 (0.44) KDM4EHSD17B10MAPK14ALDH1A1
SCHEMBL4285173 0.83 ALDH1A1 (0.45) KDM4EHSD17B10ALDH1A1
SCHEMBL4282795 0.83 ALDH1A1 (0.45) KDM4EHSD17B10ALDH1A1
SCHEMBL3493839 0.81 EGFR (0.48) DRD4DRD2DRD3CHRM4KDM4E

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 DRD4 853/4885DRD2 596/4885DRD3 495/4885

“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.