SCHEMBL2399748

SCHEMBL2399748

CNCCOB(c1ccc(F)c(F)c1)C(OC(B(OCCNC)c1ccc(F)c(F)c1)c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.38
HTR2A P28223 2/20 0.35
HRH1 P35367 2/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A2 P23975 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
NOS2 P35228 1/20 0.32
PDPK1 O15530 1/20 0.32

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
SCHEMBL2398876 0.85 KDM4E (0.41) HRH1CYP3A4
SCHEMBL2398439 0.84 HTR2A (0.42) SLC6A4HTR2AHRH1HTR1DHTR1B
SCHEMBL2397906 0.83 DRD3 (0.37) SLC6A4HTR2AHRH1HTR1DHTR1B
SCHEMBL2398470 0.83 LMNA (0.40) SLC6A4HTR2AHRH1SLC6A2CYP3A4
SCHEMBL2398440 0.80 SLC6A4 (0.39) SLC6A4HTR2AHRH1HTR1DHTR1B
SCHEMBL2398467 0.71 ALDH1A1 (0.37) SLC6A4SLC6A2CYP3A4SLC6A3NOS2
SCHEMBL2398937 0.70 KDM4E (0.38) HTR2AHRH1SIGMAR1CYP3A4
SCHEMBL2397027 0.70 HTT (0.35) PDPK1
SCHEMBL2407513 0.68 CYP1A2 (0.53) SLC6A4HTR2AHRH1CYP3A4CYP2D6
SCHEMBL2399694 0.68 KDM4E (0.41) SIGMAR1

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 10 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-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US 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 SLC6A4 4662/4885HTR2A 4731/4885HRH1 3179/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 SLC6A4 1824/4885HTR2A 3362/4885HRH1 661/4885

“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.