SCHEMBL3973648

SCHEMBL3973648

CCN(CC)CCOc1ccc(CCN)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
LTA4H P09960 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
KCNH2 Q12809 1/20 0.56
EBP Q15125 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
HRH3 Q9Y5N1 2/20 0.55
MCHR1 Q99705 2/20 0.53
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51

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
SCHEMBL23928199 0.92 HRH3 (0.56) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL873480 0.89 CYP1A2 (0.57) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL10898516 0.86 CYP1A2 (0.66) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL2424129 0.86 KEAP1 (0.69) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL9706125 0.84 EBP (0.72) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL873540 0.83 CYP1A2 (0.62) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL23928219 0.83 HRH3 (0.77) LTA4HKCNH2HRH3KEAP1NFE2L2
SCHEMBL374223 0.82 EBP (0.62) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL8432273 0.82 CYP1A2 (0.70) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10503798 0.82 CYP2D6 (0.79) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814356-B1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS LTD (CN) 2026-03-11 EP disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-10-28 US disclosed
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-10-28 US disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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 (2 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-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 CYP1A2 290/4885LTA4H 1029/4885CYP2D6 1013/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 CYP1A2 290/4885LTA4H 1029/4885CYP2D6 1013/4885

“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.