SCHEMBL20164503

SCHEMBL20164503

CCCNc1nc(N(CC)CC)nc2c(NCCO)ncnc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 10/20 0.60
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 2/20 0.37
PRUNE1 Q86TP1 1/20 0.37
KHK P50053 1/20 0.36
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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 SCHEMBL20164471 0.99 SLC29A1 (0.59) SLC29A1GAATDP1KDM4ECYP1A2
SCHEMBL20164445 0.88 SLC29A1 (0.55) SLC29A1KDM4ECYP1A2CYP2C9TSHR
Hydrochloric Acid SCHEMBL20164699 0.87 SLC29A1 (0.53) SLC29A1KDM4ECYP1A2CYP2C9TSHR
SCHEMBL20164527 0.81 SLC29A1 (0.52) SLC29A1KDM4ECYP1A2HTTKHK
Hydrochloric Acid SCHEMBL20164424 0.80 SLC29A1 (0.51) SLC29A1GAAKDM4ECYP1A2HTT
SCHEMBL29371602 0.75 CYP3A4 (0.53) KDM4ECYP1A2CYP2C9TSHRHTT
SCHEMBL20164750 0.75 ALDH1A1 (0.41) SLC29A1KDM4ECYP1A2TSHRHTT
SCHEMBL20164618 0.75 SLC29A1 (0.45) SLC29A1KDM4EHTTKHKALDH1A1
SCHEMBL20164498 0.74 SLC29A1 (0.44) SLC29A1KDM4EHTTKHKALDH1A1
SCHEMBL20164646 0.74 SLC29A1 (0.44) SLC29A1KDM4ETSHRHTTKHK

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 SLC29A1 4472/4885GAA 1936/4885TDP1 3151/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885GAA 1576/4885TDP1 3085/4885

“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.