SCHEMBL1374528

SCHEMBL1374528

c1ccc2c(OCCN3CCNCC3)cccc2c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
HRH3 Q9Y5N1 7/20 0.60
HTR2A P28223 2/20 0.60
HTR7 P34969 2/20 0.60
HTR6 P50406 2/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
DRD3 P35462 1/20 0.58
DRD4 P21917 1/20 0.53
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HTR1B P28222 1/20 0.51
LTA4H P09960 1/20 0.51

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
SCHEMBL11827244 0.93 TDP1 (0.70) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL14970486 0.85 HRH3 (0.81) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL28327724 0.84 TDP1 (0.65) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL1599356 0.82 CNR1 (0.68) TDP1HRH3HTR2AHTR7HTR6
SCHEMBL14359494 0.81 HRH3 (0.64) TDP1HRH3HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL16825837 0.79 LMNA (0.51) TDP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL11360251 0.79 TDP1 (0.74) TDP1HTR7KDM4EALDH1A1LTA4H
SCHEMBL28311407 0.79 TSHR (0.72) TDP1HTR2AHTR7MEN1KMT2A
SCHEMBL3436048 0.79 POLB (0.55) TDP1HTR7HTR6DRD3KDM4E
SCHEMBL2158197 0.79 KDM4E (0.60) TDP1MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-11-10 US disclosed
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-7629343-B2 Carbamic acid compounds comprising a piperazine linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-12-08 US disclosed
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 US disclosed
EP-1492534-B1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2008-06-25 EP disclosed
EP-1492534-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-01-05 EP disclosed
WO-2003082288-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2003-10-09 WO disclosed
CN-87100040-A The alkylamine that alkyl diaryl replaces, its preparation technology's method, the medicine of using and containing this compounds 1987-09-16 CN 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-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 TDP1 2679/4885HRH3 410/4885HTR2A 3822/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 TDP1 2679/4885HRH3 410/4885HTR2A 3822/4885

“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.