SCHEMBL2328515

SCHEMBL2328515

N#Cc1ccccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.59
DRD2 P14416 5/20 0.59
DRD3 P35462 4/20 0.59
SIGMAR1 Q99720 1/20 0.58
HTR7 P34969 1/20 0.57
CHRM4 P08173 1/20 0.55
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ABCC1 P33527 1/20 0.52

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
SCHEMBL17871853 0.84 POLB (0.55) DRD4DRD2DRD3SIGMAR1HTR7
SCHEMBL3088832 0.82 DRD4 (0.54) DRD4DRD2DRD3HTR7MAPT
SCHEMBL5356203 0.80 DRD4 (0.55) DRD4DRD2DRD3HTR7
SCHEMBL6864941 0.80 DRD4 (0.81) DRD4DRD2DRD3SIGMAR1HTR7
SCHEMBL20140902 0.79 HTR7 (0.48) DRD4DRD2DRD3HTR7
SCHEMBL20140770 0.79 ALDH1A1 (0.51) DRD4DRD2DRD3HTR7NPSR1
Water SCHEMBL8695926 0.78 SIGMAR1 (0.95) DRD4SIGMAR1
SCHEMBL20140731 0.78 DRD4 (0.54) DRD4DRD2DRD3HTR7
SCHEMBL20139955 0.78 KDM4E (0.52) DRD4DRD2DRD3HTR7CHRM4
SCHEMBL5393900 0.78 LMNA (0.67) MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US disclosed
EP-2197854-B1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC SRL (IT) 2011-08-10 EP disclosed
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US disclosed
EP-2197854-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.l. (IT) 2010-06-23 EP disclosed
WO-2009027395-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-03-05 WO disclosed
EP-1205473-A1 VESAMICOL PIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2002-05-15 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-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC5, HDAC1 DRD4 966/4885DRD2 791/4885DRD3 543/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 DRD4 1027/4885DRD2 794/4885DRD3 589/4885

“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.