SCHEMBL998088

SCHEMBL998088

c1ccc2c3c([nH]c2c1)CNCCC3

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.81
NISCH Q9Y2I1 2/20 0.81
HTR5A P47898 1/20 0.81
NR2E1 Q9Y466 1/20 0.81
TAAR1 Q96RJ0 1/20 0.63
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
BRD3 Q15059 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47

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
Tryptoline SCHEMBL9754749 0.89 NISCH (1.00) KDM4ENISCHHTR5ANR2E1TAAR1
Tryptoline SCHEMBL9480983 0.89 NISCH (1.00) KDM4ENISCHHTR5ANR2E1TAAR1
Tryptoline SCHEMBL29350043 0.89 NISCH (1.00) KDM4ENISCHHTR5ANR2E1TAAR1
Tryptoline SCHEMBL171755 0.89 NISCH (1.00) KDM4ENISCHHTR5ANR2E1TAAR1
Tryptoline SCHEMBL12190178 0.89 NISCH (1.00) KDM4ENISCHHTR5ANR2E1TAAR1
Tryptoline SCHEMBL30213301 0.88 NISCH (0.96) KDM4ENISCHHTR5ANR2E1TAAR1
Tryptoline SCHEMBL8818317 0.88 NISCH (0.96) KDM4ENISCHHTR5ANR2E1TAAR1
Tryptoline SCHEMBL28226558 0.88 NISCH (0.96) KDM4ENISCHHTR5ANR2E1TAAR1
SCHEMBL620253 0.86 TAAR1 (0.78) KDM4ENISCHHTR5ANR2E1TAAR1
Tryptoline SCHEMBL28477910 0.86 NISCH (0.93) KDM4ENISCHHTR5ANR2E1TAAR1

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 2901/4885NISCH 667/4885HTR5A 735/4885
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KDM4E 3424/4885NISCH 698/4885HTR5A 1979/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 KDM4E 2901/4885NISCH 667/4885HTR5A 735/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 KDM4E 2901/4885NISCH 667/4885HTR5A 735/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 KDM4E 2932/4885NISCH 627/4885HTR5A 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.