SCHEMBL5406716

SCHEMBL5406716

CN(CC1CCNCC1)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.39
CHKA P35790 1/20 0.39
CSF1R P07333 1/20 0.37
JAK1 P23458 1/20 0.36
GBA1 P04062 1/20 0.36
BRD4 O60885 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PDK1 Q15118 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
Hydrochloric Acid SCHEMBL5412255 0.98 CHRM5 (0.38) CHRM5CHKACSF1RJAK1GBA1
SCHEMBL3223030 0.83 GBA1 (0.50) GBA1
Hydrochloric Acid SCHEMBL6582411 0.83 BRD4 (0.47) CHRM5CHKAGBA1BRD4HRH3
SCHEMBL2392197 0.80 EP300 (0.38) JAK1GBA1BRD4TDP1PDK1
Hydrochloric Acid SCHEMBL5394863 0.78 JAK1 (0.40) JAK1TDP1
SCHEMBL5650751 0.78 EP300 (0.42) GBA1HRH3HRH4TDP1
Hydrochloric Acid SCHEMBL5410395 0.77 JAK1 (0.37) CSF1RJAK1GBA1BRD4HRH3
SCHEMBL31381408 0.76 EP300 (0.41) GBA1TDP1PDK1
SCHEMBL27564890 0.75 SLC6A2 (0.45) MKNK1MKNK2
Hydrochloric Acid SCHEMBL5401940 0.75 PIM1 (0.40) CSF1RJAK1BRD4

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-7294627-B2 Chemical compounds ELI LILLY AND COMPANY (US) 2007-11-13 US disclosed
US-20040249151-A1 Factor Xa inhibitors, useful in therapy of thrombotic disorders ELI LILLY AND COMPANY 2004-12-09 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-20040249151-A1 Factor Xa inhibitors, useful in therapy of thrombotic disorders F11, SERPINC1, F2 CHRM5 3740/4885CHKA 3721/4885CSF1R 1007/4885

“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.