SCHEMBL1374133

SCHEMBL1374133

O=C(COc1ccc2ccccc2c1)N1CCNCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.77
HPGD P15428 1/20 0.77
RAB9A P51151 1/20 0.77
GPR183 P32249 1/20 0.72
TPSAB1 Q15661 1/20 0.66
TPSD1 Q9BZJ3 1/20 0.66
TPSG1 Q9NRR2 1/20 0.66
LMNA P02545 3/20 0.64
GAA P10253 2/20 0.64
MAPT P10636 2/20 0.64
ALOX15 P16050 1/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 6/20 0.61
TP53 P04637 2/20 0.61
GLA P06280 1/20 0.61
POLB P06746 1/20 0.61
USP2 O75604 1/20 0.61
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
Trifluoroacetic Acid SCHEMBL18129136 0.92 GPR183 (0.65) NPC1HPGDRAB9AGPR183TPSAB1
SCHEMBL5072941 0.84 MEN1 (0.78) GPR183TPSAB1TPSD1TPSG1LMNA
Hydrochloric Acid SCHEMBL211137 0.82 MEN1 (0.76) GPR183TPSAB1TPSD1TPSG1LMNA
SCHEMBL13660395 0.82 TPSAB1 (0.57) NPC1HPGDRAB9AGPR183TPSAB1
SCHEMBL656573 0.80 TPSAB1 (0.78) HPGDRAB9AGPR183TPSAB1TPSD1
SCHEMBL654289 0.80 RECQL (0.71) NPC1HPGDRAB9ATPSAB1TPSD1
SCHEMBL656547 0.80 FKBP1A (0.72) HPGDRAB9AGPR183TPSAB1TPSD1
SCHEMBL6912443 0.79 KDR (0.67) NPC1HPGDRAB9AGPR183TPSAB1
SCHEMBL14198735 0.78 SLC6A4 (0.56) NPC1HPGDRAB9AGPR183TPSAB1
SCHEMBL652762 0.78 TPSAB1 (0.76) HPGDRAB9ATPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
CN-103724296-B Piperazine carbonyl derivative that aryl replaces and its preparation method and application NANJING MEDICAL UNIVERSITY (CN) 2015-09-02 CN disclosed
CN-103724296-A Aryl substituted piperazine carbonyl derivative as well as preparation method and application thereof UNIV NANJING MEDICAL 2014-04-16 CN disclosed
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
US-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2005-06-30 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 NPC1 2395/4885HPGD 1108/4885RAB9A 3354/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 NPC1 1901/4885HPGD 1325/4885RAB9A 3084/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 NPC1 1901/4885HPGD 1325/4885RAB9A 3084/4885

“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.