SCHEMBL1706129

SCHEMBL1706129

O=C(C1CCNCC1)N1CCCNCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.74
CHRNA3 P32297 2/20 0.74
CHRNA4 P43681 2/20 0.74
CHRNB3 Q05901 1/20 0.74
CHRNA6 Q15825 1/20 0.74
HPGD P15428 2/20 0.55
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CA2 P00918 2/20 0.48
CHKA P35790 1/20 0.48
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL26126254 0.94 CHRNB2 (0.84) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1159331 0.92 CHRNB2 (0.74) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1706180 0.92 CHRNB2 (0.87) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL5455311 0.90 CHRNB2 (0.83) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1284051 0.90 CHRNB2 (0.69) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL493736 0.90 CHRNB2 (0.69) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16373674 0.89 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL29670691 0.89 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL29670708 0.89 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27109077 0.88 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-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
US-20100204242-A1 Piperazine Derivative Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2010-08-12 US disclosed
EP-2195307-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR Glaxo Group Limited (GB) 2010-06-16 EP 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

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-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 CHRNB2 199/4885CHRNA3 69/4885CHRNA4 42/4885
US-20100204242-A1 Piperazine Derivative Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH1 CHRNB2 199/4885CHRNA3 69/4885CHRNA4 42/4885

“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.