SCHEMBL3035705

SCHEMBL3035705

C[C@]1(COc2ccc(N3CCN(c4ccc(Cl)cc4)CC3)cc2)CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
DRD3 P35462 4/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
DRD4 P21917 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
MAPT P10636 3/20 0.46
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
HTR7 P34969 1/20 0.46
ENPP2 Q13822 2/20 0.44
KCNH2 Q12809 1/20 0.44
HRH1 P35367 1/20 0.43
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3035707 1.00 DRD2 (0.47) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL11738646 0.83 NPSR1 (0.40) DRD2DRD3DRD4MAPTKCNH2
SCHEMBL3027204 0.82 TRPV6 (0.39) DRD2DRD3DRD4KCNH2
SCHEMBL3027198 0.82 TRPV6 (0.39) DRD2DRD3DRD4KCNH2
SCHEMBL11739543 0.82 HRH3 (0.49) MAPTKCNH2HRH1L3MBTL1MEN1
SCHEMBL5545918 0.78 DRD4 (0.50) DRD2DRD3DRD4DRD5MAPT
SCHEMBL2836200 0.74 ALDH1A1 (0.36) MAPTLMNA
SCHEMBL4461068 0.74 DRD2 (0.40) DRD2DRD3DRD4MAPTKCNH2
SCHEMBL2363928 0.72 KCNH2 (0.72) KCNH2
SCHEMBL2363925 0.72 KCNH2 (0.72) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552188-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US claimed
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-21 US claimed
EP-2144899-B1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMA CO LTD (JP) 2011-12-07 EP claimed
US-20100217005-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US claimed
EP-2144899-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME Otsuka Pharmaceutical Co., Ltd. (JP) 2010-01-20 EP claimed
WO-2008140090-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 WO claimed
US-8552188-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-21 US disclosed
US-8344148-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-01 US disclosed
EP-2144899-B1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMA CO LTD (JP) 2011-12-07 EP disclosed
US-20100217005-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
EP-2144899-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME Otsuka Pharmaceutical Co., Ltd. (JP) 2010-01-20 EP disclosed
WO-2008140090-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 WO 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-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME SQLE, CYP2E1, CYP1A1 DRD2 2621/4885DRD3 2066/4885HTR1A 1845/4885
US-20100217005-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME SQLE, CYP2E1, CYP1A1 DRD2 2518/4885DRD3 1947/4885HTR1A 1953/4885

“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.