SCHEMBL3632276

SCHEMBL3632276

C1CCNCCCCNCCCCNCCCCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.89
CXCR4 P61073 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HIF1A Q16665 1/20 0.56
MAPT P10636 1/20 0.56
PDE4A P27815 1/20 0.56
KDR P35968 1/20 0.56
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
Pyrrolidine SCHEMBL2561 1.00
Pyrrolidine SCHEMBL7827746 1.00 ALDH1A1 (0.89) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
Pyrrolidine SCHEMBL622433 1.00
Pyrrolidine SCHEMBL148449 1.00
Pyrrolidine SCHEMBL11288790 1.00
Pyrrolidine SCHEMBL11536210 1.00
Pyrrolidine SCHEMBL27811068 1.00
SCHEMBL3811182 1.00 ALDH1A1 (0.89) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
SCHEMBL576640 1.00 ALDH1A1 (0.89) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
Azepane SCHEMBL11361504 0.94

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-2013221-B1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY UNIV TEXAS (US) 2015-06-24 EP disclosed
EP-2013221-B1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY UNIV TEXAS (US) 2015-06-24 EP disclosed
US-8758723-B2 Compositions and methods for cellular imaging and therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-24 US disclosed
US-8758723-B2 Compositions and methods for cellular imaging and therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-24 US disclosed
US-8758723-B2 Compositions and methods for cellular imaging and therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-24 US disclosed
US-20100104511-A1 METHODS AND COMPOSITIONS USING CHELATOR-ANTIBODY CONJUGATES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-04-29 US disclosed
US-20100104511-A1 METHODS AND COMPOSITIONS USING CHELATOR-ANTIBODY CONJUGATES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-04-29 US disclosed
EP-2146632-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY The Board of Regents of The University of Texas System (US) 2010-01-27 EP disclosed
EP-2013221-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-01-14 EP disclosed
WO-2008130439-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-10-30 WO disclosed
WO-2008130439-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-10-30 WO disclosed
WO-2007120153-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMAGING AND THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-10-25 WO disclosed
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-25 US disclosed
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-25 US disclosed
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-25 US 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-20100104511-A1 METHODS AND COMPOSITIONS USING CHELATOR-ANTIBODY CONJUGATES ERBB2, EGFR, ERBB3 ALDH1A1 4692/4885CXCR4 2571/4885SMN1; SMN2 3640/4885
US-20070248537-A1 Compositions and Methods for Cellular Imaging and Therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCL, NME4 ALDH1A1 4432/4885CXCR4 45/4885SMN1; SMN2 972/4885

“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.