SCHEMBL2492454

SCHEMBL2492454

CCCCNC1=NCCN1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.75
APOBEC3A P31941 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
ADRA2A P08913 7/20 0.47
ADRA2B P18089 7/20 0.47
ADRA2C P18825 7/20 0.47
WDR5 P61964 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
HTR1D P28221 2/20 0.40
HTR1A P08908 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
RAD52 P43351 1/20 0.39
NISCH Q9Y2I1 1/20 0.39

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
SCHEMBL3792582 0.94 CXCR4 (0.79) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL11133792 0.93 CXCR4 (0.82) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL5831369 0.93 CXCR4 (0.82) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL2493767 0.89 CXCR4 (0.59) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL13512431 0.88
SCHEMBL17471912 0.86 CXCR4 (0.66) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL12343968 0.84 CXCR4 (0.62) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL5677296 0.83 CXCR4 (0.79) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL17472339 0.83 CXCR4 (0.72) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B
SCHEMBL13512420 0.81 CXCR4 (0.70) CXCR4APOBEC3AAPOBEC3GADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285310-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM ARES CAPITAL CORPORATION, AS AGENT 2023-09-14 US disclosed
EP-3197885-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2020-11-18 EP disclosed
WO-2017210668-A1 SUSTAINED RELEASE COMPOSITIONS OF KAPPA-OPIOID RECEPTOR AGONIST JT PHARMACEUTICALS, INC. (US) 2017-12-07 WO disclosed
US-9731016-B2 Tyrosine-based lipids for delivery of therapeutics MARINA BIOTECH, INC. (US) 2017-08-15 US disclosed
US-9682970-B2 Fluorescent compounds and uses thereof BIOTIUM, INC. (US) 2017-06-20 US disclosed
US-20160206739-A1 TYROSINE-BASED LIPIDS FOR DELIVERY OF THERAPEUTICS MARINA BIOTECH INC (US) 2016-07-21 US disclosed
US-9339461-B2 Arginine-based lipids for delivery of therapeutics MARINA BIOTECH, INC. (US) 2016-05-17 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
WO-2016048861-A2 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2016-03-31 WO disclosed
US-20160083369-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NAT HEALTH RESEARCH INSTITUTES (TW) 2016-03-24 US disclosed
US-7964601-B2 Agonist or antgonist and binders and inversion of agonist PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-7964601-B2 Agonist or antgonist and binders and inversion of agonist PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed
US-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed
US-7732451-B2 Naphthalene-containing melanocortin receptor-specific small molecule PALATIN TECHNOLOGIES, INC. (US) 2010-06-08 US disclosed
US-7732451-B2 Naphthalene-containing melanocortin receptor-specific small molecule PALATIN TECHNOLOGIES, INC. (US) 2010-06-08 US disclosed
US-7456184-B2 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES INC. (US) 2008-11-25 US disclosed
US-7456184-B2 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES INC. (US) 2008-11-25 US disclosed
US-20080234289-A1 Melanocortin Receptor-Specific Compounds PALATIN TECHNOLOGIES, INC. (US) 2008-09-25 US disclosed
US-20080234289-A1 Melanocortin Receptor-Specific Compounds PALATIN TECHNOLOGIES, INC. (US) 2008-09-25 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 (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-20160206739-A1 TYROSINE-BASED LIPIDS FOR DELIVERY OF THERAPEUTICS ABL1, LCK, ERBB2 CXCR4 2358/4885APOBEC3A 2916/4885APOBEC3G 3019/4885
US-20160083369-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, MCL1 CXCR4 6/4885APOBEC3A 3826/4885APOBEC3G 3915/4885
US-20080234289-A1 Melanocortin Receptor-Specific Compounds MC1R, MC3R, MC5R CXCR4 221/4885APOBEC3A 4214/4885APOBEC3G 3972/4885
US-20230285310-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM CFTR, TSLP, MTREX CXCR4 1281/4885APOBEC3A 1965/4885APOBEC3G 1617/4885

“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.