SCHEMBL8648014

SCHEMBL8648014

NC[C@H]1CC[C@H](CN2CCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.62
ADRA2C P18825 1/20 0.62
NCF1 P14598 1/20 0.44
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN11A Q9UI33 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL8650258 1.00 CHRM5 (0.62) CHRM5ADRA2CNCF1ACHESMN1; SMN2
SCHEMBL9386207 0.98 CHRM5 (0.67) CHRM5ADRA2CNCF1ACHESMN1; SMN2
SCHEMBL23015324 0.88 NCF1 (0.52) CHRM5ADRA2CNCF1ACHECXCR4
SCHEMBL2225387 0.87
SCHEMBL2225393 0.87
Hydrochloric Acid SCHEMBL29653378 0.86 NCF1 (0.50) CHRM5ADRA2CNCF1ACHECXCR4
SCHEMBL3632436 0.85 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2SCN1A
SCHEMBL1241238 0.85 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2SCN1A
SCHEMBL4824721 0.85 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2SCN1A
SCHEMBL19612775 0.85 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-5714497-A EXHIBIT AFFINITY FOR BIOLOGICAL RECEPTORS OF NEUROPEPTIDE Y SANOFI (FR) 1998-02-03 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-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B CHRM5 719/4885ADRA2C 659/4885NCF1 2318/4885

“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.