SCHEMBL3107792

SCHEMBL3107792

CN1CCCNCCNCCCNCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 12/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2C P18825 1/20 0.41
CCR2 P41597 1/20 0.41
CXCL12 P48061 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PHGDH O43175 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SOS1 Q07889 1/20 0.32
SOS2 Q07890 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
Piperazine SCHEMBL7550059 0.97 CXCR4 (0.48) CXCR4SMN1; SMN2MEN1CHRM2CHRM1
SCHEMBL8200418 0.95 CXCR4 (0.53) CXCR4SMN1; SMN2MEN1CHRM2CHRM1
SCHEMBL2772577 0.95 CXCR4 (0.44) CXCR4SMN1; SMN2MEN1CHRM2CHRM1
SCHEMBL40173 0.95
SCHEMBL272114 0.95
Hydrochloric Acid SCHEMBL22341586 0.92 CXCR4 (0.43) CXCR4SMN1; SMN2MEN1CHRM2CHRM1
Iodide SCHEMBL9066882 0.92
N-Methyl Pyrrolidine (Nmp) SCHEMBL4901711 0.92 CXCR4 (0.43) CXCR4SMN1; SMN2MEN1CHRM2CHRM1
SCHEMBL18828511 0.92 CXCR4 (0.43) CXCR4SMN1; SMN2MEN1CHRM2CHRM1
SCHEMBL18851815 0.92 CXCR4 (0.43) CXCR4SMN1; SMN2MEN1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180369428-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2018-12-27 US claimed
EP-3281643-A2 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE Kyungpook National University Industry-Academic Cooperation Foundation (KR) 2018-02-14 EP claimed
EP-2163553-B1 ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO LTD (CN) 2013-12-25 EP claimed
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
US-20260083865-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2026-03-26 US disclosed
US-11912650-B2 Bakuchiol derivatives, pharmaceutically acceptable salts thereof, and preparation method and use of the same JIANGXI SHIMEI PHARMACEUTICAL CO., LTD (CN) 2024-02-27 US disclosed
US-11912650-B2 Bakuchiol derivatives, pharmaceutically acceptable salts thereof, and preparation method and use of the same JIANGXI SHIMEI PHARMACEUTICAL CO., LTD (CN) 2024-02-27 US disclosed
EP-4219437-A1 BAKUCHIOL DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Jiangxi Shimei Pharmaceutical Co., Ltd. (CN) 2023-08-02 EP disclosed
WO-2023107648-A2 SYNTHESIS OF ESTER, CARBONATE, AND CARBAMATE-DERIVED NOVEL BIODEGRADABLE IONIZABLE LIPIDS FROM METHYL RICINOLEATE OR METHYL 12-HYDROXYSTEARATE AND ITS APPLICATIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 WO disclosed
WO-2023018990-A2 LIPIDS FOR NUCLEIC ACID DELIVERY Life Technologies Corporation (US) 2023-02-16 WO disclosed
CN-111755746-B Lithium ion battery electrolyte and lithium ion battery 比亚迪股份有限公司 2022-03-18 CN 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
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20260083865-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS AND USE THEREOF KLK3, FOLH1, PSMA1 CXCR4 1897/4885SMN1; SMN2 3130/4885MEN1 2375/4885
US-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases SCO2, IPO9, IPO4 CXCR4 1677/4885SMN1; SMN2 2963/4885MEN1 1178/4885
US-20180369428-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE TST, CTH, CBS CXCR4 3011/4885SMN1; SMN2 1369/4885MEN1 2258/4885
US-11912650-B2 Bakuchiol derivatives, pharmaceutically acceptable salts thereof, and preparation method and use of the same CEL, NPC1L1, LIPA CXCR4 4438/4885SMN1; SMN2 4022/4885MEN1 1191/4885

“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.