SCHEMBL23030236

SCHEMBL23030236

C#CCCn1nnnc1CC[C@H](N)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.46
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL21515089 0.88 NAALAD2 (0.60) NAALAD2TRPV1
SCHEMBL28504133 0.88 NAALAD2 (0.60) NAALAD2TRPV1
Hydrochloric Acid SCHEMBL21494731 0.87 NAALAD2 (0.58) NAALAD2
Hydrochloric Acid SCHEMBL28501489 0.87 NAALAD2 (0.58) NAALAD2
SCHEMBL23030234 0.79 NAALAD2 (0.47) NAALAD2ALDH1A1
SCHEMBL6947622 0.73 NAALAD2 (0.45) NAALAD2NPC1ALDH1A1RAB9ATRPV1
Chloromethane SCHEMBL29231841 0.72 NAALAD2 (0.64) NAALAD2
Hydrochloric Acid SCHEMBL21494705 0.72 NAALAD2 (0.67) NAALAD2
Hydrochloric Acid SCHEMBL21494707 0.72 NAALAD2 (0.67) NAALAD2
SCHEMBL24811742 0.71 ALDH1A1 (0.35) ALDH1A1

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-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY MEDICINSK FORSKNING (SE) 2021-02-25 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-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 NAALAD2 747/4885NPC1 3778/4885ALDH1A1 199/4885

“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.