SCHEMBL3495249

SCHEMBL3495249

COC(=O)c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
EGFR P00533 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
DRD2 P14416 8/20 0.44
DRD4 P21917 8/20 0.44
DRD3 P35462 5/20 0.44
MAPK1 P28482 1/20 0.43
CHRM4 P08173 1/20 0.43
ACHE P22303 2/20 0.42
MCHR1 Q99705 1/20 0.42
BCHE P06276 1/20 0.42

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 1.00 JAK2 (0.46) JAK2JAK1TYK2JAK3EGFR
SCHEMBL3493634 1.00 JAK2 (0.46) JAK2JAK1TYK2JAK3EGFR
SCHEMBL3494237 0.94 DRD4 (0.48) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL3493839 0.88 EGFR (0.48) JAK2JAK1TYK2JAK3EGFR
SCHEMBL3494123 0.82 SLC6A4 (0.44) KDM4EALDH1A1CYP3A4MAPK1ACHE
SCHEMBL4293262 0.80 SLC6A3 (0.43) KDM4EHSD17B10ALDH1A1CYP3A4HPGD
SCHEMBL3492984 0.79 MEN1 (0.40) EGFRKDM4EALDH1A1CYP3A4HPGD
SCHEMBL4294592 0.79 SLC6A3 (0.44) EGFRKDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL4294596 0.79 SLC6A3 (0.44) EGFRKDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL4285173 0.79 ALDH1A1 (0.45) KDM4EHSD17B10ALDH1A1CYP3A4HPGD

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
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 JAK2 922/4885JAK1 1604/4885TYK2 2740/4885

“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.