SCHEMBL2399756

SCHEMBL2399756

Cc1ccccc1B(OCCN(C)C)c1ccccc1Oc1ccccc1B(OCCN(C)C)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYPLA1 O75608 1/20 0.43
LYPLA2 O95372 1/20 0.43
DRD1 P21728 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
HTR7 P34969 3/20 0.40
HRH1 P35367 4/20 0.38
HTR1B P28222 2/20 0.38
CYP2D6 P10635 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRA2B P18089 2/20 0.38
CHRM3 P20309 2/20 0.38

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
SCHEMBL2397641 0.84 LYPLA1 (0.57) LYPLA1LYPLA2DRD1DRD2DRD4
SCHEMBL2398202 0.82 HTR1B (0.55) LYPLA1LYPLA2DRD1DRD2DRD4
SCHEMBL2398639 0.73 TDP1 (0.44) CYP2D6CYP2C19LMNALTA4H
SCHEMBL8352887 0.69 HTR7 (0.65) DRD1DRD2DRD4DRD5HTR7
SCHEMBL28994183 0.68 TSHR (0.38) CYP2D6SLC6A4HTR2AHTR2BKCNH2
SCHEMBL12266287 0.66 LYPLA1 (0.70) LYPLA1LYPLA2DRD1DRD2DRD4
SCHEMBL10987717 0.66 HRH1 (0.56) DRD1DRD2DRD4DRD5HTR7
SCHEMBL2398943 0.65 ORAI1 (0.59) LMNACYP1A2TSHR
SCHEMBL15331044 0.65 HTR7 (0.59) DRD1DRD2DRD4DRD5HTR7
SCHEMBL12266369 0.64 LYPLA1 (0.48) LYPLA1LYPLA2HTR1BCYP2D6LMNA

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 LYPLA1 1153/4885LYPLA2 1988/4885DRD1 3283/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 LYPLA1 4548/4885LYPLA2 4342/4885DRD1 946/4885

“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.