SCHEMBL23828895

SCHEMBL23828895

NCCc1ccc(C(=O)NCCN2CCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
CYP2D6 P10635 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
POLB P06746 1/20 0.60
GLA P06280 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MCHR1 Q99705 3/20 0.55
CHRM1 P11229 1/20 0.55
HTR2A P28223 1/20 0.55
CD274 Q9NZQ7 1/20 0.54
EPHX2 P34913 1/20 0.54
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL23840602 0.97 ALDH1A1 (0.60) ALDH1A1CYP2D6NPSR1CYP1A2CYP2C9
SCHEMBL23840591 0.89 HDAC6 (0.69) ALDH1A1CYP2D6NPSR1CYP1A2CYP2C9
SCHEMBL23840700 0.88 CD274 (0.71) ALDH1A1CYP2D6CYP1A2POLBHPGD
SCHEMBL19634394 0.87 CYP1A2 (0.70) ALDH1A1CYP2D6NPSR1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2464026 0.87 ALDH1A1 (0.70) ALDH1A1CYP2D6NPSR1CYP1A2CYP2C9
SCHEMBL3408343 0.85 ALDH1A1 (0.71) ALDH1A1CYP2D6NPSR1CYP1A2CYP2C9
SCHEMBL23828878 0.85 NPSR1 (0.67) ALDH1A1CYP2D6NPSR1CYP1A2CYP2C9
SCHEMBL3401326 0.84 CYP1A2 (0.74) ALDH1A1CYP2D6NPSR1CYP1A2CYP2C9
SCHEMBL10264587 0.83 NPSR1 (0.72) ALDH1A1CYP2D6NPSR1CYP1A2CYP2C9
SCHEMBL30969330 0.82 ALDH1A1 (0.71) ALDH1A1CYP2D6NPSR1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814355-B1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS LTD (CN) 2025-12-24 EP disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
CN-111164084-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-23 CN disclosed
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-09-23 US disclosed
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-09-23 US disclosed
CN-111164084-A Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2020-05-15 CN 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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 ALDH1A1 571/4885CYP2D6 1013/4885NPSR1 74/4885
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 ALDH1A1 571/4885CYP2D6 1013/4885NPSR1 74/4885

“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.