SCHEMBL17124663

SCHEMBL17124663

CN(C)CCCN(N)c1ncn[nH]1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.42
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL17123402 0.82 BCHE (0.34) CTHBCHEACHEKDM4ECYP3A4
SCHEMBL17124648 0.80 CTH (0.38) CTHKDM4ECYP3A4
Hydrochloric Acid SCHEMBL15558384 0.74 KDM4E (0.39) KDM4ECYP3A4
SCHEMBL28204300 0.73
SCHEMBL15559087 0.70 CTH (0.51) CTHBCHEACHE
SCHEMBL15598121 0.69 CTH (0.46) CTHBCHEACHEHRH3
SCHEMBL15598123 0.69 CTH (0.46) CTHBCHEACHEHRH4HRH3
SCHEMBL17123404 0.67 LMNA (0.33) KDM4ECYP3A4
SCHEMBL15617021 0.66 CTH (0.39) CTH
SCHEMBL15598125 0.66 CTH (0.42) CTHBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272934-A1 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS SOVA PHARMACEUTICALS, INC. 2015-10-01 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 (1 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-20150272934-A1 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS HIF1AN, CBS, COXFA4L2 CTH 4/4885BCHE 152/4885ACHE 1010/4885

“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.