SCHEMBL998488

SCHEMBL998488

CC(=O)N1CCc2c([nH]c3ncccc23)C1c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
MAPT P10636 4/20 0.54
POLB P06746 3/20 0.54
ALDH1A1 P00352 5/20 0.52
TP53 P04637 1/20 0.50
STAT3 P40763 3/20 0.49
SHMT2 P34897 1/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KIF11 P52732 3/20 0.47
RECQL P46063 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL997315 0.92 ABCB1 (0.47) ABCB1ABCG2MAPTPOLBALDH1A1
SCHEMBL999692 0.90 ABCB1 (0.54) ABCB1ABCG2MAPTPOLBALDH1A1
SCHEMBL997680 0.89 STAT3 (0.47) ABCB1ABCG2MAPTPOLBALDH1A1
SCHEMBL1000407 0.89 MEN1 (0.53) ABCB1ABCG2MAPTPOLBALDH1A1
SCHEMBL998836 0.89 KIF11 (0.47) ABCB1ABCG2MAPTPOLBALDH1A1
SCHEMBL997471 0.84 MAPT (0.55) ABCB1ABCG2MAPTPOLBTP53
SCHEMBL997584 0.84 TP53 (0.60) ABCB1ABCG2MAPTPOLBALDH1A1
SCHEMBL1000663 0.84 ABCB1 (0.56) ABCB1ABCG2MAPTTP53KDM4E
SCHEMBL1000979 0.84 KIF11 (0.51) ABCB1ABCG2MAPTTP53MEN1
SCHEMBL997683 0.82 MAPT (0.46) ABCB1ABCG2MAPTPOLBALDH1A1

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 12 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 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
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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 ABCB1 90/4885ABCG2 265/4885MAPT 2331/4885
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS ABCB1 307/4885ABCG2 309/4885MAPT 4705/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 ABCB1 90/4885ABCG2 265/4885MAPT 2331/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 ABCB1 90/4885ABCG2 265/4885MAPT 2331/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 ABCB1 97/4885ABCG2 264/4885MAPT 2402/4885

“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.