SCHEMBL2398202

SCHEMBL2398202

CN(C)CCOB(c1ccccc1Oc1ccccc1B(OCCN(C)C)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.55
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1D P28221 3/20 0.41
LYPLA1 O75608 1/20 0.40
LYPLA2 O95372 1/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR7 P34969 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37

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
SCHEMBL12270751 0.83 LYPLA1 (0.55) HTR1BADRB2ADRB1HTR1DLYPLA1
SCHEMBL2399756 0.82 LYPLA1 (0.43) HTR1BADRB2ADRB1LYPLA1LYPLA2
SCHEMBL2398660 0.82 HTR1B (0.51) HTR1BHTR1DKDM4EMEN1ALDH1A1
SCHEMBL2397641 0.80 LYPLA1 (0.57) HTR1BADRB2ADRB1LYPLA1LYPLA2
SCHEMBL12266369 0.80 LYPLA1 (0.48) HTR1BADRB2ADRB1HTR1DLYPLA1
SCHEMBL13383569 0.79 LYPLA1 (0.50) HTR1BADRB2ADRB1HTR1DLYPLA1
SCHEMBL8379698 0.71 HTR1B (1.00) HTR1BADRB2ADRB1HTR1DKDM4E
SCHEMBL2398291 0.71 SMN1; SMN2 (0.39) KDM4EMEN1ALDH1A1KMT2ADRD2
SCHEMBL15501176 0.67 HTR1B (1.00) HTR1BHTR1DKDM4EMEN1ALDH1A1
SCHEMBL2398444 0.66 ORAI1 (0.50) HTR1BKDM4EMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 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 (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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 HTR1B 2817/4885ADRB2 4280/4885ADRB1 3731/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 HTR1B 1648/4885ADRB2 436/4885ADRB1 640/4885

“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.