SCHEMBL2036072

SCHEMBL2036072

COc1cc(Cl)ccc1C1c2[nH]c3cccc(C)c3c2C2(CC2)CN1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1E P28566 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
HTR5A P47898 1/20 0.33

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
SCHEMBL2030005 0.94 KIF11 (0.42) KIF11ABCB1ABCG2MAPKAPK2ATM
SCHEMBL2030011 0.92 KIF11 (0.39) KIF11ABCB1ABCG2MAPKAPK2ATM
SCHEMBL2030853 0.91 KIF11 (0.38) KIF11MAPKAPK2NPSR1MAPT
Ono-2952 SCHEMBL2032485 0.90 MAPT (0.39) KIF11ABCB1ABCG2MAPKAPK2ATM
Ono-2952 SCHEMBL2033676 0.90 MAPT (0.39) KIF11ABCB1ABCG2MAPKAPK2ATM
Ono-2952 SCHEMBL31518699 0.90 MAPT (0.39) KIF11ABCB1ABCG2MAPKAPK2ATM
SCHEMBL2035475 0.89 KIF11 (0.37) KIF11ATMPOLBHTR2AHTR2C
SCHEMBL2031837 0.88 FFAR4 (0.38) KIF11POLBHTR2AHTR2CSMN1; SMN2
SCHEMBL2032088 0.87 KIF11 (0.47) KIF11ABCB1ABCG2HTR2AHTR2C
SCHEMBL2033031 0.87 KIF11 (0.36) KIF11ABCB1ABCG2POLBHTR2A

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.