SCHEMBL2201219

SCHEMBL2201219

CCOC(=O)CCCCCC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.55
DRD2 P14416 10/20 0.51
DRD3 P35462 8/20 0.51
DRD4 P21917 1/20 0.51
OPRM1 P35372 1/20 0.51
HTR2A P28223 1/20 0.47
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AR P10275 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL1375794 0.92 KMT2A (0.53) ADAMTS5HTR7MAPTALDH1A1TSHR
SCHEMBL1376551 0.92 KMT2A (0.53) ADAMTS5HTR7MAPTALDH1A1TSHR
SCHEMBL1491174 0.84 DRD2 (0.65) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL14188949 0.82 DRD2 (0.55) ADAMTS5DRD2DRD3DRD4OPRM1
SCHEMBL3163333 0.81 DRD2 (0.64) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL1375341 0.81 ALDH1A1 (0.65) ADAMTS5HTR1AHTR7MAPTALDH1A1
SCHEMBL1374761 0.81 ALDH1A1 (0.65) ADAMTS5HTR1AHTR7MAPTALDH1A1
SCHEMBL14291859 0.80 DRD2 (0.53) ADAMTS5DRD2DRD3DRD4OPRM1
SCHEMBL28972664 0.79 ADAMTS5 (0.61) ADAMTS5DRD2DRD3DRD4OPRM1
SCHEMBL1374125 0.79 HDAC1 (0.65) ADAMTS5HTR1AHTR7MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981895-B2 Histone deacetylase inhibitor; anticancer agents; antiproliferative agents; antitumor agents; psoriasis; piperazine compound containing a carbamic acid group TOPOTARGET UK LIMITED (GB) 2011-07-19 US disclosed
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 US 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 (1 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-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 ADAMTS5 1849/4885DRD2 4664/4885DRD3 4566/4885

“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.