SCHEMBL997546

SCHEMBL997546

CC(=O)N1CC2(CC2)c2c([nH]c3ccccc23)C1c1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.53
ABCB1 P08183 9/20 0.53
KIF11 P52732 5/20 0.48
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL996837 0.90 ABCG2 (0.50) ABCG2ABCB1KIF11LMNATP53
SCHEMBL999901 0.89 ABCG2 (0.52) ABCG2ABCB1KIF11LMNATP53
SCHEMBL2032523 0.89 ABCB1 (0.43) ABCG2ABCB1KIF11TP53MAPT
SCHEMBL2031231 0.89 ABCB1 (0.41) ABCG2ABCB1KIF11TP53MAPT
SCHEMBL997890 0.89 KIF11 (0.49) ABCG2ABCB1KIF11LMNATP53
SCHEMBL999416 0.89 KIF11 (0.52) ABCG2ABCB1KIF11LMNATP53
SCHEMBL2029708 0.88 ABCB1 (0.44) ABCG2ABCB1KIF11LMNATP53
SCHEMBL997940 0.86 KIF11 (0.44) ABCG2ABCB1KIF11LMNATP53
SCHEMBL997417 0.86 ALDH1A1 (0.48) ABCG2ABCB1KIF11TP53KDM4E
SCHEMBL998717 0.85 ABCB1 (0.50) ABCG2ABCB1KIF11LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-16 US claimed
US-8952158-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-02-10 US claimed
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 US claimed
US-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US claimed
US-20080114012-A1 Tricyclic Compound And Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 US claimed
EP-1829874-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 EP claimed
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-16 US disclosed
US-8952158-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-02-10 US disclosed
EP-1829874-B1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-02-12 EP disclosed
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 US disclosed
US-8476293-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US disclosed
US-7964726-B2 1-(1,3-benzodioxol-5-yl)-N-(3,5-dimethylphenyl)-1,9-dihydrospiro[ beta -carboline-4,1'-cyclopropane]-2(3H)-carboxamide; mitochondrial benzodiazepine receptor modulator; digestive system disease caused by stress: irritable bowel syndrome, ulcerative colitis, or Crohn's disease ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-21 US disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20080114012-A1 Tricyclic Compound And Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 US disclosed
EP-1829874-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 EP 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 (5 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-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 ABCG2 265/4885ABCB1 90/4885KIF11 4657/4885
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS ABCG2 309/4885ABCB1 307/4885KIF11 4760/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 ABCG2 265/4885ABCB1 90/4885KIF11 4657/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 ABCG2 265/4885ABCB1 90/4885KIF11 4657/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 ABCG2 264/4885ABCB1 97/4885KIF11 4674/4885

“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.