SCHEMBL3992148

SCHEMBL3992148

CCCCCCC(CCCCC)N1CCCNCCNCCCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.42
SIGMAR1 Q99720 3/20 0.40
GNAO1 P09471 7/20 0.39
GNAI3 P08754 6/20 0.39
GNAI1 P63096 6/20 0.39
MEN1 O00255 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2C P18825 1/20 0.33
CCR2 P41597 1/20 0.33
CXCL12 P48061 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL30859683 0.97 SIGMAR1 (0.41) CXCR4SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL18699333 0.97 SIGMAR1 (0.41) CXCR4SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL26331040 0.97 SIGMAR1 (0.41) CXCR4SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL19442064 0.93 SIGMAR1 (0.40) CXCR4SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL18761564 0.90 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL22019451 0.90 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL21581280 0.90 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL22702328 0.90 GNAO1 (0.42) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL21581261 0.90 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL18612783 0.90 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7517512-B2 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2009-04-14 US disclosed
US-7452845-B2 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-11-18 US disclosed
US-20080152561-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2008-06-26 US disclosed
EP-1370563-B1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NAT RECH SCIENT (FR) 2006-09-06 EP disclosed
EP-1325939-B1 Process for preparing co-gels having polyazacycloalkane moieties and their use AIR LIQUIDE (FR) 2006-06-14 EP disclosed
US-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2004-06-24 US disclosed
EP-1325939-A2 Process for preparing co-gels having polyazacycloalkane moieties and their use L'Air Liquide S. A. à Directoire et Conseil de Surveillance pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2003-07-09 EP disclosed
EP-1051422-B1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS AIR LIQUIDE (FR) 2003-07-02 EP 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
EP-1051257-A1 METHOD FOR PREPARING POLYAZACYCLOALKANES GRAFTED ON SILICA GEL AND USE OF GRAFTED COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2000-11-15 EP 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-1999037399-A1 METHOD FOR PREPARING POLYAZACYCLOALKANES GRAFTED ON SILICA GEL AND USE OF GRAFTED COMPOUNDS L'AIR LIQUIDE SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1999-07-29 WO 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

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-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases SCO2, IPO9, IPO4 CXCR4 1677/4885SIGMAR1 17/4885GNAO1 320/4885
US-20080152561-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES ZYX, IPO9, IPO4 CXCR4 1130/4885SIGMAR1 75/4885GNAO1 545/4885

“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.