SCHEMBL2030592

SCHEMBL2030592

COc1cc2[nH]c3c(c2cc1OC)C1(CC1)CN(C(C)=O)C3c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.38
HTR2C P28335 6/20 0.38
HTR2A P28223 5/20 0.38
HTR2B P41595 5/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR7 P34969 2/20 0.38
HTR5A P47898 2/20 0.38
HTR6 P50406 2/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2C P18825 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCB1 P08183 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
MPO P05164 1/20 0.35
PAX8 Q06710 2/20 0.35

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
SCHEMBL2029715 0.88 ERAP1 (0.38) ERAP1HTR5AMEN1KMT2AABCB1
SCHEMBL2031342 0.88 KIF11 (0.40) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL2030015 0.88 KIF11 (0.40) ERAP1ABCB1ABCG2MPOPAX8
SCHEMBL2031216 0.87 MAPT (0.35) MEN1KMT2AABCB1ABCG2TRPV1
SCHEMBL2029713 0.87 HTR2C (0.46) ERAP1HTR2CHTR2AHTR2BHTR1A
SCHEMBL2034575 0.85 KIF11 (0.38) HTR2CHTR2AMEN1KMT2AABCB1
SCHEMBL998542 0.85 KIF11 (0.43) MEN1KMT2AABCB1ABCG2MAPT
SCHEMBL2032538 0.84 HTR2A (0.41) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL16633410 0.84 HTR2A (0.41) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL2033154 0.84 HTR2C (0.49) ERAP1HTR2CHTR2AHTR2BHTR1A

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 ERAP1 390/4885HTR2C 893/4885HTR2A 1711/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 ERAP1 390/4885HTR2C 893/4885HTR2A 1711/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 ERAP1 390/4885HTR2C 893/4885HTR2A 1711/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 ERAP1 420/4885HTR2C 848/4885HTR2A 1628/4885

“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.