SCHEMBL769134

SCHEMBL769134

COC(=O)C1CCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TAS1R3 Q7RTX0 3/20 0.50
TAS1R1 Q7RTX1 3/20 0.50
PIN1 Q13526 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48

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
SCHEMBL29484101 1.00 KMT2A (0.51) KMT2AMEN1TAS1R3TAS1R1PIN1
SCHEMBL29609016 0.90 PIN1 (0.60) KMT2AMEN1TAS1R3TAS1R1PIN1
SCHEMBL14143104 0.90 PIN1 (0.60) KMT2AMEN1TAS1R3TAS1R1PIN1
SCHEMBL1153666 0.90 PIN1 (0.60) KMT2AMEN1TAS1R3TAS1R1PIN1
Hydrochloric Acid SCHEMBL27856372 0.89 PIN1 (0.58) KMT2AMEN1TAS1R3TAS1R1PIN1
SCHEMBL651410 0.87 HTT (0.51) KMT2AMEN1TAS1R3TAS1R1PIN1
SCHEMBL2115724 0.83 ALDH1A1 (0.51) KMT2AMEN1TAS1R3TAS1R1PIN1
SCHEMBL2529183 0.82 LMNA (0.46) KMT2AMEN1TAS1R3TAS1R1PIN1
SCHEMBL31262315 0.81 HTT (0.49) KMT2AMEN1TAS1R3TAS1R1PIN1
SCHEMBL2448483 0.81 HTT (0.49) KMT2AMEN1TAS1R3TAS1R1PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3161475-A None JP disclosed
CN-116546990-B CD73 inhibitor and pharmaceutical application thereof RISEN (SUZHOU) PHARMA TECH Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-114539340-B CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2024-06-07 CN disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
CN-116546990-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2023-08-04 CN disclosed
CN-112313234-B Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2022-04-29 CN disclosed
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-07-01 US disclosed
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-07-01 US disclosed
CN-112313234-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-02-02 CN disclosed
WO-2019196803-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2019-10-17 WO disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
JP-H03161475-A PRODUCTION OF TETRAHYDRONAPHTHALENE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1991-07-11 JP 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 (5 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 KMT2A 1403/4885MEN1 709/4885TAS1R3 1692/4885
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B KMT2A 1957/4885MEN1 3320/4885TAS1R3 2519/4885
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 KMT2A 2779/4885MEN1 1633/4885TAS1R3 3930/4885
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 KMT2A 2779/4885MEN1 1633/4885TAS1R3 3930/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 KMT2A 1385/4885MEN1 696/4885TAS1R3 1804/4885

“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.