SCHEMBL997417

SCHEMBL997417

CC(=O)N1CC2(CC2)c2c([nH]c3ccccc23)C1c1cc(F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
KIF11 P52732 5/20 0.43
ABCB1 P08183 5/20 0.41
ABCG2 Q9UNQ0 5/20 0.41
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL998542 0.93 KIF11 (0.43) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL998717 0.90 ABCB1 (0.50) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL996744 0.90 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL999416 0.87 KIF11 (0.52) KDM4EKIF11ABCB1ABCG2TP53
SCHEMBL997310 0.86 ABCB1 (0.44) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL997546 0.86 ABCG2 (0.53) KDM4EKIF11ABCB1ABCG2TP53
SCHEMBL996837 0.86 ABCG2 (0.50) MEN1KMT2APOLBKIF11ABCB1
SCHEMBL997421 0.85 NPC1 (0.45) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL2031342 0.85 KIF11 (0.40) KIF11
SCHEMBL997890 0.85 KIF11 (0.49) MEN1KMT2AKDM4EKIF11ABCB1

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 11 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

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 ALDH1A1 864/4885MEN1 2538/4885KMT2A 2969/4885
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS ALDH1A1 1422/4885MEN1 1017/4885KMT2A 2539/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 ALDH1A1 864/4885MEN1 2538/4885KMT2A 2969/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 ALDH1A1 864/4885MEN1 2538/4885KMT2A 2969/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 ALDH1A1 869/4885MEN1 2425/4885KMT2A 2951/4885

“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.