SCHEMBL20164356

SCHEMBL20164356

CN(C)c1nc(NCC2CC2)c2ncnc(NCCO)c2n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KHK P50053 16/20 0.49
HRH4 Q9H3N8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC29A1 Q99808 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
Hydrochloric Acid SCHEMBL20164580 0.99 KHK (0.48) KHKHRH4ALDH1A1SMN1; SMN2SLC29A1
SCHEMBL20164337 0.84 KHK (0.46) KHK
SCHEMBL20164445 0.84 SLC29A1 (0.55) KHKALDH1A1SMN1; SMN2SLC29A1
Hydrochloric Acid SCHEMBL20164662 0.83 KHK (0.45) KHK
Hydrochloric Acid SCHEMBL20164699 0.83 SLC29A1 (0.53) KHKALDH1A1SMN1; SMN2SLC29A1
SCHEMBL20164750 0.81 ALDH1A1 (0.41) KHKALDH1A1SMN1; SMN2SLC29A1
Hydrochloric Acid SCHEMBL20164751 0.80 ALDH1A1 (0.39) KHKALDH1A1SMN1; SMN2SLC29A1
SCHEMBL20164368 0.80 SLC29A1 (0.40) KHKALDH1A1SMN1; SMN2SLC29A1
SCHEMBL20164745 0.80 ALDH1A1 (0.39) KHKALDH1A1SMN1; SMN2SLC29A1
Hydrochloric Acid SCHEMBL20164524 0.80 ALDH1A1 (0.40) KHKALDH1A1SMN1; SMN2SLC29A1

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 KHK 3022/4885HRH4 99/4885ALDH1A1 2164/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 KHK 2826/4885HRH4 136/4885ALDH1A1 2004/4885

“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.