SCHEMBL3152136

SCHEMBL3152136

COC1CCN(C)CC1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPK1 P28482 1/20 0.39
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
NCF1 P14598 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL107340 0.90
SCHEMBL8298097 0.81 HRH3 (0.40) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL8266529 0.77 HRH3 (0.38) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL25082408 0.76 GNAI3 (0.38) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL8224168 0.75
SCHEMBL3436804 0.75
SCHEMBL8298892 0.75 SMN1; SMN2 (0.39) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL254092 0.75
SCHEMBL29178515 0.74 LTA4H (0.31)
SCHEMBL9959055 0.74 DPP4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867650-B1 HYDROXYMETHYLBORON COMPOUNDS EISAI R&D MAN CO LTD (JP) 2012-06-27 EP claimed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US claimed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US claimed
EP-1867650-A1 HYDROXYMETHYLBORON COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2007-12-19 EP claimed
EP-4323363-A1 NEW PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-02-21 EP disclosed
US-20230023140-A1 BICYCLIC COMPOUND AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-01-26 US disclosed
EP-4050006-A1 BICYCLIC COMPOUND AND USE THEREOF SK Biopharmaceuticals Co., Ltd. (KR) 2022-08-31 EP disclosed
WO-2021080359-A1 BICYCLIC COMPOUND AND USE THEREOF 에스케이바이오팜 주식회사 2021-04-29 WO disclosed
EP-2953681-B1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INT (DE) 2017-03-15 EP disclosed
EP-2953681-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS Boehringer Ingelheim International GmbH (DE) 2015-12-16 EP disclosed
US-8927531-B2 Indanyloxydihydrobenzofuranylacetic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
WO-2014122067-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 WO disclosed
US-20140221349-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 US disclosed
EP-1867650-B1 HYDROXYMETHYLBORON COMPOUNDS EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US disclosed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US disclosed
EP-1867650-A1 HYDROXYMETHYLBORON COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2007-12-19 EP 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 (3 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-20230023140-A1 BICYCLIC COMPOUND AND USE THEREOF PRMT5, PRMT6, PRMT1 HRH3 1633/4885CHRM1 2570/4885CHRM2 3151/4885
US-20080242859-A1 Oxymethyl Boron Compounds BPGM, DDT, DBN1 HRH3 209/4885CHRM1 2006/4885CHRM2 1393/4885
US-20140221349-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPBAR1, GPR52 HRH3 1564/4885CHRM1 111/4885CHRM2 179/4885

“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.