SCHEMBL2033807

SCHEMBL2033807

Cc1cc(C)cc(NC(=O)N2CC3(CC3)c3c([nH]c4ccccc34)C2c2ccc3c(c2)CCC3)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.49
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.43
LMNA P02545 6/20 0.42
STAT3 P40763 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
KIF11 P52732 1/20 0.40
ABCB1 P08183 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL998711 0.88 TP53 (0.48) TP53MAPTPOLBLMNAABCG2
SCHEMBL997308 0.87 ABCG2 (0.47) TP53MAPTPOLBLMNASTAT3
SCHEMBL997842 0.86 TP53 (0.53) TP53MAPTPOLBLMNAABCG2
SCHEMBL998843 0.86 TP53 (0.44) TP53MAPTPOLBLMNASTAT3
SCHEMBL1000909 0.86 PAX8 (0.45) TP53MAPTPOLBLMNASTAT3
SCHEMBL998636 0.86 ABCB1 (0.49) TP53MAPTPOLBLMNAABCG2
SCHEMBL2030832 0.85 PDE5A (0.49) TP53
SCHEMBL998229 0.85 ABCG2 (0.50) TP53MAPTABCG2KIF11ABCB1
SCHEMBL997552 0.85 PAX8 (0.44) TP53MAPTPOLBLMNASTAT3
SCHEMBL998373 0.85 PAX8 (0.44) TP53MAPTPOLBLMNASTAT3

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 9 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-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 TP53 784/4885MAPT 2331/4885POLB 2595/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 TP53 784/4885MAPT 2331/4885POLB 2595/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 TP53 784/4885MAPT 2331/4885POLB 2595/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 TP53 881/4885MAPT 2402/4885POLB 2643/4885

“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.