SCHEMBL872363

SCHEMBL872363

COCCOc1ccc(N2CCNCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.65
HTR3E A5X5Y0 3/20 0.65
HTR3B O95264 3/20 0.65
HTR3A P46098 3/20 0.65
HTR3D Q70Z44 3/20 0.65
HTR3C Q8WXA8 3/20 0.65
SIGMAR1 Q99720 3/20 0.65
CHRNB2 P17787 1/20 0.61
CHRNA4 P43681 1/20 0.61
LTA4H P09960 4/20 0.53
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TGFBR1 P36897 1/20 0.45

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
Hydrochloric Acid SCHEMBL23355832 0.98 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL22638136 0.98 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14922261 0.95 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL20907431 0.94 CHRNB2 (0.70) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6132814 0.91 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29749541 0.89 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17455228 0.85 ADRB1 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8811069 0.85 ADRB1 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8551038 0.85 ADRB1 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7083865 0.84 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D

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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12325708-B2 Adenosine 2 receptor antagonists NEKTAR THERAPEUTICS (US) 2025-06-10 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
CN-110742893-B Methods of treating cancer with A2A receptor antagonists 百济神州(北京)生物科技有限公司 2024-04-05 CN disclosed
WO-2023191400-A1 ETHYL PIPERIDINE TRIAZOLO TRIAZINE DERIVATIVES, SYNTHESIS METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF CANCER 에이치케이이노엔 주식회사 2023-10-05 WO disclosed
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist BEIGENE, LTD. (KY) 2022-10-18 US disclosed
US-20220235056-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS NEKTAR THERAPEUTICS 2022-07-28 US disclosed
CN-112313234-B Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2022-04-29 CN disclosed
CN-110922408-B 3H- [1,2,3] triazolo [4,5-d ] pyrimidin-5-amine derivatives and uses thereof 广东东阳光药业有限公司 2021-10-01 CN disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
US-20040023997-A1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. 2004-02-05 US disclosed
US-20030212080-A1 Adenosine A2a receptor antagonists SCHERING CORPORATION 2003-11-13 US disclosed
CN-1451007-A Adenosine A2aReceptor antagonists SCHERING CORP (US) 2003-10-22 CN disclosed
US-20030191130-A1 [1,2,4]-Triazole bicyclic adenosine A2a receptor antagonists SCHERING CORPORATION 2003-10-09 US disclosed
US-6630475-B2 5-amino-pyrazolo-(4, 3-e)-1,2,4-triazolo(1,5-c)pyrimidine adenosine A2a receptor antagonists; use in the treatment of central nervous system diseases, in particular Parkinson's disease SCHERING CORPORATION 2003-10-07 US disclosed
WO-2003048163-A1 [1,2,4]-TRIAZOLE BICYCLIC ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-06-12 WO disclosed
WO-2003048164-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-06-12 WO disclosed
EP-1283839-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-02-19 EP disclosed
US-20020099061-A1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. 2002-07-25 US disclosed
WO-2001092264-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-12-06 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 (9 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-20220235056-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA3 ADRB1 335/4885HTR3E 122/4885HTR3B 57/4885
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B ADRB1 51/4885HTR3E 67/4885HTR3B 36/4885
US-12325708-B2 Adenosine 2 receptor antagonists ADORA2A, ADORA2B, ADORA3 ADRB1 335/4885HTR3E 122/4885HTR3B 57/4885
US-20030191130-A1 [1,2,4]-Triazole bicyclic adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ADRB1 23/4885HTR3E 53/4885HTR3B 31/4885
US-20020099061-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B ADRB1 35/4885HTR3E 52/4885HTR3B 30/4885
US-20030212080-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ADRB1 24/4885HTR3E 47/4885HTR3B 33/4885
US-20040023997-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B ADRB1 35/4885HTR3E 66/4885HTR3B 40/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B ADRB1 19/4885HTR3E 121/4885HTR3B 65/4885
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist ADORA2A, ADORA3, ADORA2B ADRB1 46/4885HTR3E 68/4885HTR3B 36/4885

“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.