SCHEMBL122045

SCHEMBL122045

Clc1ncccc1N1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
SLC6A4 P31645 1/20 0.61
ADRB1 P08588 3/20 0.59
HTR1A P08908 2/20 0.57
SLC6A2 P23975 2/20 0.57
HTR7 P34969 1/20 0.55
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PLD1 Q13393 1/20 0.51
EPHX2 P34913 1/20 0.51
ADRB2 P07550 1/20 0.49
NCF1 P14598 1/20 0.49

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
SCHEMBL31050094 1.00 HTR2A (0.61) HTR2AHTR2CSLC6A4ADRB1HTR1A
Hydrochloric Acid SCHEMBL2331469 0.98 HTR2A (0.59) HTR2AHTR2CSLC6A4ADRB1HTR1A
Tert-Butyl Formate SCHEMBL27793411 0.84 HTR1A (0.50) HTR2AHTR2CSLC6A4ADRB1HTR1A
SCHEMBL27549878 0.83 GAA (0.55) HTR2AHTR2CSLC6A4KDM4EALDH1A1
SCHEMBL31473785 0.83 GAA (0.51) HTR2AHTR2CSLC6A4HTR1ASLC6A2
SCHEMBL28265996 0.81 GAA (0.54) KDM4EALDH1A1
SCHEMBL10495676 0.80 HTR2C (0.68) HTR2AHTR2CSLC6A4ADRB1HTR1A
SCHEMBL13391271 0.79 NCF1 (0.55) HTR2AHTR2CSLC6A4ADRB1HTR1A
SCHEMBL1801712 0.79 SMN1; SMN2 (0.58) KDM4EALDH1A1NCF1
SCHEMBL12156788 0.79 DRD2 (0.54) HTR2AHTR2CHTR1ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976062-B2 Benzisoxazole compound OSAKA UNIVERSITY (JP) 2024-05-07 US disclosed
EP-3789383-B9 INHIBITORS OF THE TRPC3 OR TRPC6 CHANNEL UNIV OSAKA (JP) 2024-02-28 EP disclosed
EP-3789383-B1 INHIBITORS OF THE TRPC3 OR TRPC6 CHANNEL UNIV OSAKA (JP) 2023-11-29 EP disclosed
US-20230114195-A1 BENZISOXAZOLE COMPOUND KYOTO UNIVERSITY (JP) 2023-04-13 US disclosed
US-11548882-B2 Benzisoxazole compound OSAKA UNIVERSITY (JP) 2023-01-10 US disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
US-20210238171-A1 BENZISOXAZOLE COMPOUND INTER-UNIVERSITY RESEARCH INSTITUTE CORPORATION NATIONAL INSTITUTES OF NATURAL SCIENCES (JP) 2021-08-05 US disclosed
WO-2021079962-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF HEARING LOSS 国立大学法人大阪大学 2021-04-29 WO disclosed
EP-3789383-A1 BENZISOXAZOLE COMPOUND Osaka University (JP) 2021-03-10 EP disclosed
CN-112204017-A Benzisoxazole compounds 国立大学法人大阪大学 2021-01-08 CN disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 US disclosed
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 US disclosed
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 WO disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 WO disclosed
WO-2009029439-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-03-05 WO disclosed
WO-2009029439-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-03-05 WO disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 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 (6 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-20210238171-A1 BENZISOXAZOLE COMPOUND CBR1, CYP2S1, CYP2E1 HTR2A 4776/4885HTR2C 4204/4885SLC6A4 3111/4885
US-11976062-B2 Benzisoxazole compound CBR1, CYP2S1, CYP2E1 HTR2A 4780/4885HTR2C 4208/4885SLC6A4 3106/4885
US-11548882-B2 Benzisoxazole compound CBR1, CYP2S1, CYP2E1 HTR2A 4776/4885HTR2C 4204/4885SLC6A4 3111/4885
US-20230114195-A1 BENZISOXAZOLE COMPOUND CBR1, CYP2S1, CYP2E1 HTR2A 4738/4885HTR2C 4045/4885SLC6A4 2911/4885
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C HTR2A 13/4885HTR2C 3/4885SLC6A4 148/4885
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 HTR2A 13/4885HTR2C 2/4885SLC6A4 98/4885

“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.