SCHEMBL3994310

SCHEMBL3994310

c1ccc(CN2CCCNCCNCCCNCC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 14/20 0.83
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
CHRM2 P08172 1/20 0.83
CHRM1 P11229 1/20 0.83
ADRA2C P18825 1/20 0.83
CCR2 P41597 1/20 0.83
CXCL12 P48061 1/20 0.83
BLM P54132 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
HRH3 Q9Y5N1 1/20 0.83
SIGMAR1 Q99720 3/20 0.79
ALDH1A1 P00352 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57
CYP2D6 P10635 1/20 0.55

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
SCHEMBL30641657 0.98 CXCR4 (0.81) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL31616422 0.98 SIGMAR1 (0.82) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL255099 0.96 SIGMAR1 (0.85) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL15043649 0.96 SIGMAR1 (0.85) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL10316935 0.96 SIGMAR1 (0.85) CXCR4MEN1KMT2ACHRM2CHRM1
Hydrochloric Acid SCHEMBL7422770 0.95 SIGMAR1 (0.82) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL15046526 0.95 CXCR4 (0.75) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL3999326 0.93 CXCR4 (0.79) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL3779720 0.93 CXCR4 (0.78) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL6632216 0.91 SIGMAR1 (0.82) CXCR4MEN1KMT2ACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452845-B2 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-11-18 US claimed
EP-1370563-B1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NAT RECH SCIENT (FR) 2006-09-06 EP claimed
US-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2004-06-24 US claimed
EP-1189609-A4 CXCR-4 RECEPTOR ANTAGONISTS - THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP claimed
EP-1189609-A1 CXCR-4 RECEPTOR ANTAGONISTS - THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2002-03-27 EP claimed
WO-2000066112-A1 CXCR-4 RECEPTOR ANTAGONISTS - THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-09 WO claimed
US-20250257148-A1 ATP-Dependent Agonists of Immune Cells Function as Anticancer Agents CROSSLINK THERAPEUTICS INC (US) 2025-08-14 US disclosed
WO-2025054553-A1 ATP-DEPENDENT AGONISTS OF IMMUNE CELLS FUNCTION AS ANTICANCER AGENTS CROSSLINK THERAPEUTICS INC. (US) 2025-03-13 WO disclosed
EP-4273142-A1 PICOLINATE CYCLAM PALLADIUM CHELATES AND USES THEREOF Université de Bretagne Occidentale (FR) 2023-11-08 EP disclosed
CN-113429428-B Octahydropyrazinopyrimidine molecular clamp compound, preparation method and application thereof 北京百灵威科技有限公司 2022-05-13 CN disclosed
CN-113429428-A Octahydropyrazinopyrimidine molecular clamp compound, preparation method and application thereof 北京百灵威科技有限公司 2021-09-24 CN disclosed
US-9233971-B2 Lipomacrocycles and uses thereof AGAVE PHARMA, INCORPORATED 2016-01-12 US disclosed
US-9233971-B2 Lipomacrocycles and uses thereof AGAVE PHARMA, INCORPORATED 2016-01-12 US disclosed
US-6524372-B1 Separation and purification of gases; 1,4,8,11-Tetrakis(3-(triethoxysilyl)propyl)-1,4,8,11 -tetraazacyclotetradecane L′Air Liquide, Societe Anonyme a Directoire et Conseil de Surveillance pour l′Etude et l′Exploitation des Procedes Georges Claude (FR) 2003-02-25 US disclosed
US-6372903-B1 REACTING POLYAZACYCLOALKANE WITH COMPOUND HAVING FUNCTIONAL SILANE GROUP, CONDENSING PRODUCT WITH SILANOL SITES OF SILICA GEL TO FORM IMMOBILIZED POLYAZACYCLOALKANE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2002-04-16 US disclosed
EP-1051257-B1 METHOD FOR PREPARING POLYAZACYCLOALKANES GRAFTED ON SILICA GEL AND USE OF GRAFTED COMPOUNDS AIR LIQUIDE (FR) 2002-04-03 EP disclosed
WO-2001046202-A1 POLYAZACYCLOALKANES, ORGANOMETALLIC COMPLEXES THAT INCORPORATE THEM AS LIGANDS AND THE USE OF SAID COMPOUNDS IN THE EXTRACTION OF HEAVY METALS L'AIR LIQUIDE SOCIETE ANONYME A DIRECTOIRE ET CONSEIL DE SURVEILLANCE POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2001-06-28 WO disclosed
EP-1051422-A1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2000-11-15 EP disclosed
WO-1999037656-A1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS L'AIR LIQUIDE SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1999-07-29 WO disclosed
WO-1996011189-A1 POLYAZACYCLOALKANE DERIVATIVES, THEIR METAL COMPLEXES AND PHARMACEUTICAL PRODUCTS INCORPORATING THESE COMPLEXES L'AIR LIQUIDE SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1996-04-18 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-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases SCO2, IPO9, IPO4 CXCR4 1677/4885MEN1 1178/4885KMT2A 3053/4885

“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.