SCHEMBL197827

SCHEMBL197827

O=C(Cl)c1ccc(OC2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
HRH3 Q9Y5N1 3/20 0.49
APP P05067 1/20 0.43
ACACB O00763 1/20 0.43
LMNA P02545 3/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CASP3 P42574 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KAT2B Q92831 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LIPG Q9Y5X9 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL29011964 0.90 PDE4D (0.44) PARP10HRH3ACACBLMNASENP8
SCHEMBL28687531 0.90 PDE4D (0.44) PARP10HRH3ACACBLMNASENP8
SCHEMBL4285489 0.88 PARP10 (0.58) PARP10LMNASENP8SENP6ALDH1A1
SCHEMBL197266 0.85 ALDH1A1 (0.60) PARP10HRH3APPLMNASENP8
SCHEMBL1027693 0.84 PARP10 (0.64) PARP10LMNASENP8SENP6ALDH1A1
SCHEMBL3012096 0.83 PARP10 (0.73) PARP10HRH3SENP8SENP6ALDH1A1
SCHEMBL11758749 0.83 PARP10 (0.62) PARP10LMNASENP8SENP6ALDH1A1
SCHEMBL1707168 0.81 MEN1 (0.54) PARP10HRH3ACACBALDH1A1KAT2B
SCHEMBL12372144 0.81 PARP10 (0.51) PARP10HRH3APPACACBLMNA
SCHEMBL3671492 0.79 DGAT1 (0.49) PARP10LMNASENP8SENP6ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500192-A 2012-01-05 JP claimed
EP-2326642-A2 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE Glaxo Group Limited (GB) 2011-06-01 EP claimed
US-20100204242-A1 Piperazine Derivative Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2010-08-12 US claimed
EP-2195307-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR Glaxo Group Limited (GB) 2010-06-16 EP claimed
WO-2010018231-A2 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE GLAXO GROUP LIMITED (GB) 2010-02-18 WO claimed
US-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 US claimed
WO-2009030716-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-03-12 WO claimed
US-8288389-B2 Piperazine derivative having affinity for the histamine H3 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288389-B2 Piperazine derivative having affinity for the histamine H3 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288389-B2 Piperazine derivative having affinity for the histamine H3 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-2195307-B1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2012-04-18 EP disclosed
EP-2195307-B1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2012-04-18 EP disclosed
US-20110190274-A1 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE GLAXO GROUP LIMITED 2011-08-04 US disclosed
WO-2010018231-A2 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE GLAXO GROUP LIMITED (GB) 2010-02-18 WO disclosed
WO-2010018231-A2 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE GLAXO GROUP LIMITED (GB) 2010-02-18 WO disclosed
US-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 US disclosed
US-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 US disclosed
US-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 US disclosed
WO-2009030716-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-03-12 WO disclosed
WO-2009030716-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-03-12 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-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 PARP10 1582/4885HRH3 1/4885APP 923/4885
US-20100204242-A1 Piperazine Derivative Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH1 PARP10 1582/4885HRH3 1/4885APP 923/4885
US-20110190274-A1 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE GRIK4, GRIK1, IPO4 PARP10 2079/4885HRH3 72/4885APP 349/4885

“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.