SCHEMBL4410040

SCHEMBL4410040

N#Cc1ccc(CN(CCN)CCN)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.55
CYP2A6 P11509 1/20 0.45
HRH3 Q9Y5N1 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
RORC P51449 1/20 0.41
IDO1 P14902 2/20 0.41
NSD2 O96028 1/20 0.39
MEP1B Q16820 1/20 0.38
CYP19A1 P11511 3/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL29664740 0.96 LOXL2 (0.55) LOXL2CYP2A6HRH3CRHBPCRHR2
SCHEMBL29278097 0.90 LOXL2 (0.48) LOXL2CYP2A6HRH3RORCNSD2
SCHEMBL4406268 0.83 HRH3 (0.50) HRH3MAPT
SCHEMBL6263851 0.82 LOXL2 (0.47) LOXL2CYP2A6HRH3CRHBPCRHR2
SCHEMBL19088665 0.82 HRH3 (0.64) LOXL2CYP2A6HRH3RORCNSD2
SCHEMBL6263660 0.81 LOXL2 (0.45) LOXL2CYP2A6HRH3CRHBPCRHR2
SCHEMBL15831721 0.78 HRH3 (0.59) LOXL2CYP2A6HRH3CRHBPCRHR2
SCHEMBL541669 0.76 HRH3 (0.59) LOXL2CYP2A6HRH3RORC
SCHEMBL9125321 0.75 MAPT (0.62) LOXL2HRH3MAPT
SCHEMBL10990552 0.75 TSHR (0.57) CYP2A6HRH3RORCMAPT

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-1608352-B1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY CO LTD (TW) 2009-12-30 EP disclosed
US-7504422-B2 Polyamine compounds TAIGEN BIOTECHNOLOGY CO. LTD. (TW) 2009-03-17 US disclosed
US-7501526-B2 Synthesis of polyamine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-03-10 US disclosed
US-7501526-B2 Synthesis of polyamine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-03-10 US disclosed
US-7399776-B2 Polyamine compounds for treating chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY (TW) 2008-07-15 US disclosed
US-20080058382-A1 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-03-06 US disclosed
WO-2008021788-A2 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (CN) 2008-02-21 WO disclosed
EP-1608352-A4 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY CO LTD (TW) 2007-11-28 EP disclosed
EP-1608352-A1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES Taigen Biotechnology (TW) 2005-12-28 EP disclosed
US-20050043366-A1 Polyamine compounds for treating chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY (TW) 2005-02-24 US disclosed
WO-2004089360-A1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY (TW) 2004-10-21 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-20050043366-A1 Polyamine compounds for treating chemokine receptor mediated diseases CCL2, CCR2, CCR5 LOXL2 1842/4885CYP2A6 4607/4885HRH3 114/4885
US-20080058382-A1 POLYAMINE COMPOUNDS SRM, SMS, SMOX LOXL2 2950/4885CYP2A6 4734/4885HRH3 204/4885

“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.