SCHEMBL20164772

SCHEMBL20164772

CCCNc1nc(NCC)c2nc(NCCO)nc(NCC)c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 7/20 0.71
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
CDK1 P06493 5/20 0.40
CDK2 P24941 2/20 0.39
CDK5 Q00535 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CCNB1 P14635 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 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
Hydrochloric Acid SCHEMBL20164399 0.98 SLC29A1 (0.69) SLC29A1CYP1A2CYP2C19KMT2AGAA
SCHEMBL20164499 0.93 SLC29A1 (0.71) SLC29A1CYP1A2CYP2C19KMT2AGAA
Hydrochloric Acid SCHEMBL20164468 0.92 SLC29A1 (0.69) SLC29A1CYP1A2CYP2C19KMT2AGAA
SCHEMBL16094511 0.91 SLC29A1 (0.56) SLC29A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL16094829 0.87 SLC29A1 (0.71) SLC29A1CYP1A2CYP2C19KMT2AGAA
SCHEMBL20179388 0.86 SLC29A1 (0.66) SLC29A1CYP1A2CYP2C19KMT2AGAA
Hydrochloric Acid SCHEMBL20164590 0.85 SLC29A1 (0.64) SLC29A1CYP1A2CYP2C19KMT2AGAA
SCHEMBL16094399 0.83 SLC29A1 (0.56) SLC29A1CYP1A2CYP2C19KMT2AGAA
SCHEMBL16094710 0.83 SLC29A1 (0.65) SLC29A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL20164443 0.83 SLC29A1 (0.66) SLC29A1KMT2AGAAMAPK1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
EP-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same NEURAD LTD. (IL) 2019-05-21 US disclosed
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same NEURAD LTD. (IL) 2019-05-21 US disclosed
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 US disclosed
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 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-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same MTNR1B, CHRM3, PER2 SLC29A1 4472/4885CYP1A2 2209/4885CYP2C19 2870/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885CYP1A2 1724/4885CYP2C19 2435/4885

“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.