SCHEMBL2033734

SCHEMBL2033734

CC(=O)N1CC2(CC2)c2c([nH]c3cccc(F)c23)C1c1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33
HTR5A P47898 1/20 0.33
STAT3 P40763 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 1/20 0.33
CHRM3 P20309 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL2032028 0.90 MAPKAPK2 (0.37) ABCB1ABCG2MEN1KMT2AHTR5A
SCHEMBL2032812 0.89 KIF11 (0.42) KIF11ABCB1ABCG2ALDH1A1TP53
SCHEMBL998542 0.88 KIF11 (0.43) KIF11ABCB1ABCG2ALDH1A1MEN1
SCHEMBL2029715 0.88 ERAP1 (0.38) KIF11ABCB1ABCG2MTNR1BALDH1A1
SCHEMBL2031342 0.86 KIF11 (0.40) KIF11HTR5A
SCHEMBL2031189 0.85 HHAT (0.40) ABCB1ABCG2ALDH1A1KDM4EPOLB
SCHEMBL2029708 0.85 ABCB1 (0.44) KIF11ABCB1ABCG2KDM4ETP53
SCHEMBL19596723 0.85 KIF11 (0.40) KIF11ABCB1ABCG2KDM4ETP53
SCHEMBL2034677 0.83 MAPKAPK2 (0.40) KIF11ABCB1ABCG2ALDH1A1MEN1
SCHEMBL2031298 0.83 MAPT (0.38) KIF11ABCB1ABCG2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 KIF11 4657/4885ABCB1 90/4885ABCG2 265/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 KIF11 4657/4885ABCB1 90/4885ABCG2 265/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 KIF11 4657/4885ABCB1 90/4885ABCG2 265/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 KIF11 4674/4885ABCB1 97/4885ABCG2 264/4885

“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.