SCHEMBL997617

SCHEMBL997617

c1ccc2c3c([nH]c2c1)CNC1(CCCC1)C3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
NR2E1 Q9Y466 2/20 0.47
HTR5A P47898 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
OPRM1 P35372 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL997234 0.97 KDM4E (0.47) KDM4ENR2E1HTR5ANISCHLMNA
SCHEMBL999715 0.94 KDM4E (0.50) KDM4ENR2E1HTR5ANISCHLMNA
SCHEMBL31280140 0.81 KDM4E (0.50) KDM4ENR2E1HTR5ANISCHLMNA
SCHEMBL1520201 0.75 KDM4E (0.44) KDM4ENR2E1HTR5ANISCHLMNA
SCHEMBL9476489 0.72 KDM4E (0.50) KDM4ENR2E1HTR5ANISCHLMNA
SCHEMBL9845301 0.72 KDM4E (0.44) KDM4ENR2E1HTR5ANISCHLMNA
SCHEMBL31510878 0.71 HTR2A (0.51) KDM4ENR2E1HTR5ANISCHLMNA
SCHEMBL31510880 0.71 HTR2A (0.51) KDM4ENR2E1HTR5ANISCHLMNA
SCHEMBL10019851 0.69 HTR2A (0.57) KDM4ENR2E1HTR5ANISCHTAAR1
SCHEMBL30569664 0.69 HTR2A (0.57) KDM4ENR2E1HTR5ANISCHTAAR1

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 12 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
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 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 (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 KDM4E 2901/4885NR2E1 2696/4885HTR5A 735/4885
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KDM4E 3424/4885NR2E1 1535/4885HTR5A 1979/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 KDM4E 2901/4885NR2E1 2696/4885HTR5A 735/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 KDM4E 2901/4885NR2E1 2696/4885HTR5A 735/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 KDM4E 2932/4885NR2E1 2598/4885HTR5A 702/4885

“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.