SCHEMBL469175

SCHEMBL469175

CCN[C@H](C)c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.38
VNN1 O95497 5/20 0.36
HPGDS O60760 1/20 0.35
BTD P43251 1/20 0.34

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
SCHEMBL12812605 0.85 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1HTTVNN1
SCHEMBL7999234 0.80 KDM4E (0.37) SMN1; SMN2KDM4EALDH1A1VNN1HPGDS
SCHEMBL16629775 0.78 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1VNN1HPGDS
SCHEMBL17445192 0.78 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1VNN1HPGDS
Ammonia Solution, Strong SCHEMBL16619952 0.76 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1VNN1HPGDS
SCHEMBL19323045 0.74 HTT (0.45) SMN1; SMN2HTTHPGDS
SCHEMBL19323055 0.74 HTT (0.45) SMN1; SMN2HTTHPGDS
SCHEMBL19323011 0.74 HTT (0.45) SMN1; SMN2HTTHPGDS
SCHEMBL13104826 0.74 RAB9A (0.41) SMN1; SMN2KDM4EALDH1A1
SCHEMBL10115951 0.74 RAB9A (0.41) SMN1; SMN2KDM4EALDH1A1

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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 SMN1; SMN2 1758/4885KDM4E 4010/4885ALDH1A1 2538/4885

“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.