SCHEMBL996837

SCHEMBL996837

CC(=O)N1CC2(CC2)c2c([nH]c3ccccc23)C1c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.50
ABCB1 P08183 2/20 0.50
KIF11 P52732 1/20 0.48
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 4/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL999416 0.91 KIF11 (0.52) ABCG2ABCB1KIF11MAPTLMNA
SCHEMBL997890 0.91 KIF11 (0.49) ABCG2ABCB1KIF11MAPTNPSR1
SCHEMBL997546 0.90 ABCG2 (0.53) ABCG2ABCB1KIF11MAPTLMNA
SCHEMBL1001235 0.89 ABCB1 (0.48) ABCG2ABCB1MAPTNPSR1MEN1
SCHEMBL998600 0.88 ABCG2 (0.53) ABCG2ABCB1KIF11MAPTLMNA
SCHEMBL997606 0.87 KIF11 (0.50) ABCG2ABCB1KIF11MAPTLMNA
SCHEMBL997180 0.87 KIF11 (0.50) ABCG2ABCB1KIF11MAPTLMNA
SCHEMBL998542 0.87 KIF11 (0.43) ABCG2ABCB1KIF11MAPTMEN1
SCHEMBL997940 0.86 KIF11 (0.44) ABCG2ABCB1KIF11MAPTNPSR1
SCHEMBL997417 0.86 ALDH1A1 (0.48) ABCG2ABCB1KIF11MAPTMEN1

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-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS ABCG2 309/4885ABCB1 307/4885KIF11 4760/4885

“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.