SCHEMBL20164582

SCHEMBL20164582

CCC(C)Nc1nc(Cl)nc2c(NCC(C)(C)O)nc(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GLP1R P43220 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.30

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
SCHEMBL20164670 1.00 ALDH1A1 (0.35) ALDH1A1GLP1RMEN1KMT2ANPSR1
SCHEMBL20164579 1.00 ALDH1A1 (0.35) ALDH1A1GLP1RMEN1KMT2ANPSR1
SCHEMBL20164315 0.82 MEN1 (0.34) GLP1RMEN1KMT2ACCNE1CDK2
SCHEMBL20164319 0.82 MEN1 (0.34) GLP1RMEN1KMT2ACCNE1CDK2
SCHEMBL20164703 0.82 MEN1 (0.34) GLP1RMEN1KMT2ACCNE1CDK2
Hydrochloric Acid SCHEMBL20164720 0.81 MEN1 (0.33) MEN1KMT2ANPSR1CCNE1CDK2
Hydrochloric Acid SCHEMBL20164681 0.81 MEN1 (0.33) MEN1KMT2ANPSR1CCNE1CDK2
Hydrochloric Acid SCHEMBL20164682 0.81 MEN1 (0.33) MEN1KMT2ANPSR1CCNE1CDK2
SCHEMBL20164648 0.80 KMT2A (0.43) KMT2ALMNA
SCHEMBL20164422 0.79 ESR1 (0.33) CCNE1CDK2CDK7CCNHCDK5

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 3 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
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

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 ALDH1A1 2164/4885GLP1R 3766/4885MEN1 2683/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 ALDH1A1 2004/4885GLP1R 4209/4885MEN1 2347/4885

“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.