SCHEMBL2033154

SCHEMBL2033154

COc1ccc2[nH]c3c(c2c1)C1(CC1)CN(C(C)=O)C3c1ccc(F)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.49
HTR2A P28223 6/20 0.49
HTR2B P41595 4/20 0.49
HTR1A P08908 2/20 0.45
HTR1D P28221 2/20 0.45
HTR7 P34969 2/20 0.45
HTR5A P47898 2/20 0.45
HTR6 P50406 2/20 0.45
DRD4 P21917 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1E P28566 1/20 0.45
SLC6A4 P31645 1/20 0.45
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2C P18825 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41

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
SCHEMBL2029713 0.94 HTR2C (0.46) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL2032888 0.90 KIF11 (0.42) HTR2CHTR2AHTR2BTP53MAPT
SCHEMBL2033538 0.89 HTR2A (0.45) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL2029300 0.89 HTR2C (0.42) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL2032521 0.87 TP53 (0.46) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL2034779 0.87 TP53 (0.41) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL997805 0.86 ABCG2 (0.45) ERAP1MEN1KMT2A
SCHEMBL2034677 0.84 MAPKAPK2 (0.40) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL2033414 0.84 CHRM4 (0.36) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL2030592 0.84 ERAP1 (0.38) HTR2CHTR2AHTR2BHTR1AHTR1D

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 HTR2C 893/4885HTR2A 1711/4885HTR2B 1835/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 HTR2C 893/4885HTR2A 1711/4885HTR2B 1835/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 HTR2C 893/4885HTR2A 1711/4885HTR2B 1835/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 HTR2C 848/4885HTR2A 1628/4885HTR2B 1772/4885

“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.