SCHEMBL17169809

SCHEMBL17169809

CC(C)N1CC(C)(C)Oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.37
P2RY1 P47900 1/20 0.36
P2RX4 Q99571 3/20 0.33
XIAP P98170 2/20 0.32
PIK3CD O00329 1/20 0.31
HTR1A P08908 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22938912 0.78 PGR (0.34) ALDH1A1SMN1; SMN2
SCHEMBL24359141 0.78 NR3C2 (0.38)
SCHEMBL27668201 0.77 HSD11B1 (0.43) NISCHP2RY1
SCHEMBL17175213 0.77 NISCH (0.52) NISCHP2RY1HTR1AALDH1A1ABCG2
SCHEMBL22938911 0.74 ABCB1 (0.35) XIAP
SCHEMBL4081801 0.73 SLC6A2 (0.48)
SCHEMBL13209385 0.72 P2RY1 (0.40) NISCHP2RY1ALDH1A1ABCG2ITGB2
SCHEMBL13228158 0.72 NISCH (0.37) NISCHP2RY1PIK3CD
SCHEMBL27659846 0.71 SLC6A2 (0.41)
SCHEMBL12660327 0.71 ABCG2 (0.39) P2RX4HTR1AALDH1A1ABCG2ITGB2

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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES CYP11B2, CYP11B1, SLC10A1 NISCH 1089/4885P2RY1 929/4885P2RX4 2123/4885

“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.