SCHEMBL2729563

SCHEMBL2729563

CN1CCCNCCNCCCN(C)C(C)(C)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
SOS1 Q07889 1/20 0.35
SOS2 Q07890 1/20 0.35
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2C P18825 1/20 0.31
CCR2 P41597 1/20 0.31
CXCL12 P48061 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HIF1A Q16665 1/20 0.30
MAPT P10636 1/20 0.30
PDE4A P27815 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL7114161 0.95 CXCR4 (0.42) CXCR4SMN1; SMN2SOS1SOS2MEN1
SCHEMBL6823025 0.84 SOS1 (0.43) CXCR4SMN1; SMN2SOS1SOS2ALDH1A1
SCHEMBL6961310 0.75 SOS1 (0.45) CXCR4SOS1SOS2ALDH1A1
SCHEMBL30660182 0.75 SOS1 (0.41) CXCR4SMN1; SMN2SOS1SOS2ALDH1A1
SCHEMBL20184166 0.75 CXCR4 (0.36) CXCR4SMN1; SMN2SOS1SOS2
SCHEMBL457018 0.72 CXCR4 (0.36) CXCR4SMN1; SMN2
SCHEMBL11478629 0.71
SCHEMBL16203347 0.69 CXCR4 (0.42) CXCR4SMN1; SMN2SOS1SOS2ALDH1A1
SCHEMBL3810559 0.69
Piperazine SCHEMBL7550059 0.69 CXCR4 (0.48) CXCR4SMN1; SMN2SOS1SOS2ALDH1A1

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
US-20140113969-A1 Preventing And/Or Treating Cardiovascular Disease And/Or Associated Heart Failure PHILERA NEW ZEALAND LIMITED (NZ) 2014-04-24 US claimed
EP-1487431-A4 PREVENTING AND/OR TREATING CARDIOVASCULAR DISEASE AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORP LTD (NZ) 2006-10-25 EP claimed
US-6951890-B2 Preventing and/or treating cardiovascular disease and/or associated heart failure PROTEMIX CORPORATION LIMITED (NZ) 2005-10-04 US claimed
US-20050131186-A1 Living radical polymerization of halogen-containing and acrylic monomers and the formation of block copolymers therefrom PENNSYLVANIA, UNIVERSITY OF 2005-06-16 US claimed
EP-1487431-A1 PREVENTING AND/OR TREATING CARDIOVASCULAR DISEASE AND/OR ASSOCIATED HEART FAILURE Protemix Corporation Limited (NZ) 2004-12-22 EP claimed
WO-2004017957-A1 PREVENTING AND/OR TREATING CARDIOVASCULAR DISEASE AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORPORATION LIMITED (NZ) 2004-03-04 WO claimed
US-20030203973-A1 Preventing and/or treating cardiovascular disease and/or associated heart failure PHILERA NEW ZEALAND LIMITED (NZ) 2003-10-30 US claimed
WO-2003077901-A1 PREVENTING AND/OR TREATING CARDIOVASCULAR DISEASE AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORPORATION LIMITED (NZ) 2003-09-25 WO claimed
WO-2003075910-A1 PREVENTING AND/OR TREATING VASCULAR DISEASE, CARDIOMYOPATHY AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORPORATION LIMITED (NZ) 2003-09-18 WO claimed
CN-114867474-A Combination therapy for central nervous system disorders 菲勒拉新西兰有限责任公司 2022-08-05 CN disclosed
EP-3982943-A1 COMBINATION TREATMENTS FOR CENTRAL NERVOUS SYSTEM DISORDERS Philera New Zealand Ltd. (NZ) 2022-04-20 EP disclosed
WO-2020257279-A1 COMBINATION TREATMENTS FOR CENTRAL NERVOUS SYSTEM DISORDERS PHILERA NEW ZEALAND LTD. (NZ) 2020-12-24 WO disclosed
US-20140113969-A1 Preventing And/Or Treating Cardiovascular Disease And/Or Associated Heart Failure PHILERA NEW ZEALAND LIMITED (NZ) 2014-04-24 US disclosed
US-8563538-B2 Preventing and/or treating cardiovascular disease and/or associated heart failure PHILERA NEW ZEALAND LIMITED (NZ) 2013-10-22 US disclosed
US-6951890-B2 Preventing and/or treating cardiovascular disease and/or associated heart failure PROTEMIX CORPORATION LIMITED (NZ) 2005-10-04 US disclosed
EP-1487431-A1 PREVENTING AND/OR TREATING CARDIOVASCULAR DISEASE AND/OR ASSOCIATED HEART FAILURE Protemix Corporation Limited (NZ) 2004-12-22 EP disclosed
WO-2004017957-A1 PREVENTING AND/OR TREATING CARDIOVASCULAR DISEASE AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORPORATION LIMITED (NZ) 2004-03-04 WO disclosed
US-20030203973-A1 Preventing and/or treating cardiovascular disease and/or associated heart failure PHILERA NEW ZEALAND LIMITED (NZ) 2003-10-30 US disclosed
WO-2003077901-A1 PREVENTING AND/OR TREATING CARDIOVASCULAR DISEASE AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORPORATION LIMITED (NZ) 2003-09-25 WO disclosed
WO-2003075910-A1 PREVENTING AND/OR TREATING VASCULAR DISEASE, CARDIOMYOPATHY AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORPORATION LIMITED (NZ) 2003-09-18 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 (1 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-20030203973-A1 Preventing and/or treating cardiovascular disease and/or associated heart failure TNNI3, FABP3, TNNT2 CXCR4 1025/4885SMN1; SMN2 583/4885SOS1 4561/4885

“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.