SCHEMBL12685154

SCHEMBL12685154

OC1CCCC1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.66
KCNA5 P22460 1/20 0.47
LTA4H P09960 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EBP Q15125 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
AGER Q15109 3/20 0.38
MTNR1A P48039 1/20 0.38

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
SCHEMBL15610809 1.00 SLC18A3 (0.66) SLC18A3KCNA5LTA4HMEN1KMT2A
SCHEMBL15610808 1.00 SLC18A3 (0.66) SLC18A3KCNA5LTA4HMEN1KMT2A
SCHEMBL14873965 1.00 SLC18A3 (0.66) SLC18A3KCNA5LTA4HMEN1KMT2A
SCHEMBL18386875 0.96 SLC18A3 (0.71) SLC18A3KCNA5LTA4HMEN1KMT2A
SCHEMBL10573537 0.96 SLC18A3 (0.71) SLC18A3KCNA5LTA4HMEN1KMT2A
SCHEMBL25418952 0.90 SLC18A3 (0.58) SLC18A3KCNA5MEN1KMT2AEBP
SCHEMBL22252484 0.89 SLC18A3 (0.56) SLC18A3KCNA5MEN1KMT2AEBP
SCHEMBL22252483 0.89 SLC18A3 (0.56) SLC18A3KCNA5MEN1KMT2AEBP
SCHEMBL20687903 0.89 SLC18A3 (0.56) SLC18A3KCNA5MEN1KMT2AEBP
SCHEMBL22273230 0.89 SLC18A3 (0.56) SLC18A3KCNA5MEN1KMT2AEBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 US disclosed
US-10155761-B2 CXCR4 receptor antagonists PROXIMAGEN, LLC (US) 2018-12-18 US disclosed
EP-2927224-B1 Receptor antagonists PROXIMAGEN LTD (GB) 2018-10-03 EP disclosed
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
EP-2897956-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-11-09 EP disclosed
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 EP disclosed
US-20150072990-A1 Novel Pyrido[1,2-a]Pryazines And Their Use In The Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2015-03-12 US disclosed
US-8916564-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2014-12-23 US disclosed
EP-2766350-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS Eli Lilly and Company (US) 2014-08-20 EP disclosed
WO-2014045156-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2014-03-27 WO disclosed
US-20140088111-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-03-27 US disclosed
US-20130289020-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2013-10-31 US disclosed
US-20130289020-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2013-10-31 US disclosed
WO-2013055577-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2013-04-18 WO disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 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 (7 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-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 SLC18A3 800/4885KCNA5 1679/4885LTA4H 1138/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 SLC18A3 800/4885KCNA5 1679/4885LTA4H 1138/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 SLC18A3 729/4885KCNA5 3084/4885LTA4H 884/4885
US-20150072990-A1 Novel Pyrido[1,2-a]Pryazines And Their Use In The Treatment of Neurodegenerative and Neurological Disorders PRNP, SNCA, PSEN1 SLC18A3 157/4885KCNA5 1376/4885LTA4H 1769/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 SLC18A3 800/4885KCNA5 1679/4885LTA4H 1138/4885
US-20140088111-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2D6, CYP2C19 SLC18A3 390/4885KCNA5 474/4885LTA4H 1747/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 SLC18A3 800/4885KCNA5 1679/4885LTA4H 1138/4885

“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.