SCHEMBL2003768

SCHEMBL2003768

Fc1ccc(CN2CCCNCC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 15/20 0.77
HRH3 Q9Y5N1 2/20 0.77
MEN1 O00255 1/20 0.77
CHRM2 P08172 1/20 0.77
CHRM1 P11229 1/20 0.77
ADRA2C P18825 1/20 0.77
CCR2 P41597 1/20 0.77
CXCL12 P48061 1/20 0.77
BLM P54132 1/20 0.77
KMT2A Q03164 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
SIGMAR1 Q99720 2/20 0.58

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
Hydrochloric Acid SCHEMBL209072 0.98 CXCR4 (0.78) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL211040 0.93 SIGMAR1 (0.66) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL11342016 0.93 SIGMAR1 (0.66) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL3062972 0.91 CXCR4 (0.66) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL6291076 0.91 CXCR4 (0.66) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL13250512 0.89 CXCR4 (0.70) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL29490414 0.87 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL5611617 0.87 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL19038 0.87 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL12203046 0.86 CXCR4 (0.77) CXCR4HRH3MEN1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382301-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF UNIV ARIZONA (US) 2025-12-18 US disclosed
EP-4543888-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF Arizona Board of Regents on behalf of The University of Arizona (US) 2025-04-30 EP disclosed
WO-2023250083-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-12-28 WO disclosed
US-20150141429-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI INC. (US) 2015-05-21 US disclosed
EP-2842956-A1 PARP inhibitor compounds, compositions and methods of use Eisai Inc. (US) 2015-03-04 EP disclosed
US-8894989-B2 PARP inhibitor compounds, compositions and methods of use EISAI INC. (US) 2014-11-25 US disclosed
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20130011365-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI INC. (US) 2013-01-10 US disclosed
US-8236802-B2 PARP inhibitor compounds, compositions and methods of use EISAI INC. (US) 2012-08-07 US disclosed
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO disclosed
EP-0252670-B1 2-SUBSTITUTED ALKOXY-3-SUBSTITUTED-PYRAZINES TOYO JOZO KABUSHIKI KAISHA (JP) 1992-01-15 EP disclosed
US-5001237-A 2-substituted alkoxy-3-substituted-pyrazines TOYO JOZO KABUSHIKI KAISHA (JP) 1991-03-19 US disclosed
EP-0242957-B1 1-SUBSTITUTED ALKYL-1, 2-DIHYDRO-2-PYRAZINONE DERIVATIVES TOYO JOZO KABUSHIKI KAISHA (JP) 1990-09-12 EP disclosed
US-4894453-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS TOYO JOZO KABUSHIKI KAISHA (JP) 1990-01-16 US disclosed
US-4877875-A ANTIAGGLOMERANTS, VASODILATORS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-10-31 US disclosed
US-4837319-A VASODILATORS, ANTICOAGULANTS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-06-06 US disclosed
EP-0252670-A2 2-Substituted alkoxy-3-substituted-pyrazines TOYO JOZO KABUSHIKI KAISHA (JP) 1988-01-13 EP disclosed
EP-0242957-A1 1-Substituted Alkyl-1, 2-Dihydro-2-Pyrazinone derivatives TOYO JOZO KABUSHIKI KAISHA (JP) 1987-10-28 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 (3 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-20150141429-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 CXCR4 3463/4885HRH3 2708/4885MEN1 1486/4885
US-20130011365-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 CXCR4 3569/4885HRH3 2316/4885MEN1 1470/4885
US-20250382301-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK3, CLK1 CXCR4 590/4885HRH3 348/4885MEN1 407/4885

“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.