SCHEMBL2035529

SCHEMBL2035529

CC(=O)N1CC2(CC2)c2c([nH]c3ccc(F)cc23)C1c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.47
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
MAPKAPK2 P49137 1/20 0.39
BRD3 Q15059 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL2032595 0.93 KIF11 (0.45) KIF11HTR2AHTR2CTP53MAPT
SCHEMBL999416 0.92 KIF11 (0.52) KIF11TP53MAPTABCB1ABCG2
SCHEMBL2033145 0.92 KIF11 (0.43) KIF11TP53RIPK1ABCB1ABCG2
SCHEMBL2032521 0.90 TP53 (0.46) KIF11HTR2AHTR2CTP53MAPT
SCHEMBL2032523 0.90 ABCB1 (0.43) KIF11HTR2AHTR2CMAPKAPK2BRD3
SCHEMBL997606 0.88 KIF11 (0.50) KIF11TP53MAPTABCB1ABCG2
SCHEMBL997180 0.88 KIF11 (0.50) KIF11TP53MAPTABCB1ABCG2
SCHEMBL2031342 0.88 KIF11 (0.40) KIF11HTR2AHTR2CMAPKAPK2BRD3
SCHEMBL2030015 0.87 KIF11 (0.40) KIF11TP53ABCB1ABCG2
SCHEMBL998327 0.87 KIF11 (0.42) KIF11TP53MAPTSMN1; SMN2

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 15 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-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 4657/4885HTR2A 1711/4885HTR2C 893/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 KIF11 4657/4885HTR2A 1711/4885HTR2C 893/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 KIF11 4657/4885HTR2A 1711/4885HTR2C 893/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 KIF11 4674/4885HTR2A 1628/4885HTR2C 848/4885

“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.