SCHEMBL21048281

SCHEMBL21048281

COc1cccc2c1CCOC2C(=O)NCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
DRD4 P21917 2/20 0.42
ADRA1B P35368 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
MAPK1 P28482 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39

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
Water SCHEMBL30437086 0.99 TSHR (0.43) TSHRHPGDDRD4ADRA1BADRA2A
Water SCHEMBL22491700 0.99 TSHR (0.43) TSHRHPGDDRD4ADRA1BADRA2A
Water SCHEMBL21048282 0.99 TSHR (0.43) TSHRHPGDDRD4ADRA1BADRA2A
SCHEMBL20482712 0.79 ADRA2A (0.49) TSHRHPGDADRA1BADRA2AADRA1D
SCHEMBL30436776 0.79 ADRA2A (0.49) TSHRHPGDADRA1BADRA2AADRA1D
SCHEMBL20480080 0.79 ADRA2A (0.49) TSHRHPGDADRA1BADRA2AADRA1D
SCHEMBL22491774 0.77 ADRA2A (0.47) TSHRDRD4ADRA1BADRA2AADRA1D
SCHEMBL30436956 0.77 ADRA2A (0.47) TSHRDRD4ADRA1BADRA2AADRA1D
SCHEMBL22466776 0.77 ADRA2A (0.47) TSHRDRD4ADRA1BADRA2AADRA1D
SCHEMBL22491683 0.76 ADRA2A (0.45) TSHRDRD4ADRA1BADRA2AADRA1D

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
US-20240173254-A1 TASIPIMIDINE FORMULATIONS AND USE THEREOF ORION CORPORATION (FI) 2024-05-30 US disclosed
US-20240165083-A1 TASIPIMIDINE FORMULATIONS AND USE THEREOF ORION CORPORATION (FI) 2024-05-23 US disclosed
CN-117157070-A Tasipiridine (tasipidine) formulations and uses thereof 奥赖恩公司 2023-12-01 CN disclosed
CN-117136045-A Tasipiridine (tasipidine) formulations and uses thereof 奥赖恩公司 2023-11-28 CN disclosed
US-11352346-B2 Process for the preparation of 2-(5-methoxyisochroman-1-yl)-4,5-dihydro-1H-imidazole and the hydrogensulfate salt thereof ORION CORPORATION (FI) 2022-06-07 US disclosed
EP-3717476-A1 PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF Orion Corporation (FI) 2020-10-07 EP disclosed
US-20200308152-A1 PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF ORION CORPORATION (FI) 2020-10-01 US disclosed
WO-2019106238-A1 PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF ORION CORPORATION (FI) 2019-06-06 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 (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-20200308152-A1 PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF ADRA2A, ADRA2C, ADRB2 TSHR 576/4885HPGD 897/4885DRD4 922/4885
US-11352346-B2 Process for the preparation of 2-(5-methoxyisochroman-1-yl)-4,5-dihydro-1H-imidazole and the hydrogensulfate salt thereof ADRA2A, ADRA2C, ADRB2 TSHR 627/4885HPGD 873/4885DRD4 808/4885

“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.