SCHEMBL3154472

SCHEMBL3154472

c1ccc(OCC2CCCC[N]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 7/20 0.44
VCP P55072 1/20 0.38

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
SCHEMBL5536178 0.95 TDP1 (0.46) TDP1LTA4H
SCHEMBL3163550 0.83 LTA4H (0.48) LTA4H
SCHEMBL3160187 0.82 SLC6A2 (0.42) VCP
SCHEMBL5545285 0.78 TDP1 (0.47) TDP1
SCHEMBL4178227 0.77 CHRNB2 (0.34) LTA4H
SCHEMBL5535778 0.74 GRIN2B (0.40) LTA4H
SCHEMBL10533845 0.74 PARP15 (0.56) TDP1LTA4H
SCHEMBL2200352 0.73 TDP1 (0.50) TDP1
SCHEMBL42737 0.73 NOS3 (0.53)
SCHEMBL8356592 0.72 PARP15 (0.57) TDP1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577470-B1 2-Amino-N-[[[4-(aminocarbonyl)pyrimidin-2-yl]amino]alkyl]-pyrimidine-4-carboxamide derivates, their preparation and their use in therapeutics SYNTHELABO (FR) 1995-05-24 EP claimed
US-5330985-A Adrenergic blocking agents; urogenital disorders SYNTHELABO (FR) 1994-07-19 US claimed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO disclosed
CN-1100416-A Derivative of 2-amino-N-{{{4-(aminocarbonyl)pyrimidin-2-yl}amizo}alkyl}pyrimidiny-4-carboxamide, preparation and pharmaceutical application of same SYNTHELABO (FR) 1995-03-22 CN disclosed
US-5330985-A Adrenergic blocking agents; urogenital disorders SYNTHELABO (FR) 1994-07-19 US disclosed
US-5330985-A Adrenergic blocking agents; urogenital disorders SYNTHELABO (FR) 1994-07-19 US disclosed
EP-0577470-A1 2-Amino-N-[[[4-(aminocarbonyl)pyrimidin-2-yl]amino]alkyl]-pyrimidine-4-carboxamide derivates, their preparation and their use in therapeutics SYNTHELABO (FR) 1994-01-05 EP 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 TDP1 4420/4885LTA4H 586/4885VCP 793/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 TDP1 4420/4885LTA4H 586/4885VCP 793/4885

“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.