SCHEMBL20164337

SCHEMBL20164337

CN(C)c1nc(NCC2CC2)c2ncnc(NCC(C)(C)O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KHK P50053 19/20 0.46

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 SCHEMBL20164662 0.99 KHK (0.45) KHK
SCHEMBL20164356 0.84 KHK (0.49) KHK
Hydrochloric Acid SCHEMBL20164580 0.83 KHK (0.48) KHK
SCHEMBL20164646 0.83 SLC29A1 (0.44) KHK
Hydrochloric Acid SCHEMBL20164760 0.82 SLC29A1 (0.43) KHK
SCHEMBL20164612 0.81 SLC29A1 (0.34)
Hydrochloric Acid SCHEMBL20164691 0.80 SLC29A1 (0.33)
SCHEMBL20164418 0.80 KCNH2 (0.34) KHK
SCHEMBL20164493 0.79 CDK1 (0.43) KHK
Hydrochloric Acid SCHEMBL20164708 0.79 KCNH2 (0.34) KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 US claimed
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2025-02-20 US 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-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 (3 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 3022/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 KHK 578/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 KHK 2826/4885

“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.