SCHEMBL2397906

SCHEMBL2397906

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A4 P31645 6/20 0.37
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
SLC6A2 P23975 3/20 0.34
HTR2A P28223 3/20 0.34
HRH1 P35367 3/20 0.34
LMNA P02545 3/20 0.34
CHRM1 P11229 2/20 0.34
TSHR P16473 2/20 0.34
ADRA2B P18089 2/20 0.34
HTR2C P28335 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34

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
SCHEMBL2398467 0.86 ALDH1A1 (0.37) DRD3DRD2DRD4SLC6A4NOS2
SCHEMBL2400484 0.84 CHRM1 (0.39) DRD3DRD2DRD4SLC6A4ALDH1A1
SCHEMBL2399748 0.83 SLC6A4 (0.38) SLC6A4NOS2CYP3A4CYP2D6SLC6A2
SCHEMBL2398439 0.82 HTR2A (0.42) DRD3SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL2398440 0.78 SLC6A4 (0.39) DRD3DRD2DRD4SLC6A4NOS2
SCHEMBL2398516 0.73 ALDH1A1 (0.39) ALDH1A1MAPTLMNATP53KMT2A
SCHEMBL2398413 0.73 ALDH1A1 (0.39) ALDH1A1MAPTLMNATP53KMT2A
SCHEMBL2397063 0.73 LTA4H (0.38) SLC6A4SLC6A2SLC6A3POLB
SCHEMBL2399105 0.70 SIGMAR1 (0.32) DRD3DRD2DRD4SLC6A4ALDH1A1
SCHEMBL12266328 0.68 MAPT (0.38) DRD3DRD2DRD4SLC6A4ALDH1A1

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 DRD3 3364/4885DRD2 3904/4885DRD4 4304/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 DRD3 789/4885DRD2 724/4885DRD4 555/4885

“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.