SCHEMBL7949600

SCHEMBL7949600

Fc1ccc2c(c1)C(N1CCCCC1)=Nc1ccccc1S2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.78
CHRM1 P11229 3/20 0.57
DRD3 P35462 3/20 0.57
LMNA P02545 2/20 0.57
CHRM2 P08172 2/20 0.57
HTR1A P08908 2/20 0.57
ADRA2A P08913 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57
CHRM3 P20309 2/20 0.57
DRD1 P21728 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
ADRA1A P35348 2/20 0.57
HRH1 P35367 2/20 0.57
OPRM1 P35372 2/20 0.57
HTR2B P41595 2/20 0.57
KCNH2 Q12809 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57

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
SCHEMBL14631841 0.88 DRD2 (1.00) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL1567427 0.88 DRD2 (1.00) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL13440473 0.85 DRD2 (0.74) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL1568871 0.83 DRD2 (0.74) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL5057655 0.81 DRD2 (0.54) DRD2CHRM1DRD3DRD4HDAC8
SCHEMBL2036762 0.79 DRD2 (0.67) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL13284556 0.78 DRD2 (0.80) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL2615344 0.78 DRD2 (0.69) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL2615341 0.78 DRD2 (0.69) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL8022151 0.77 DRD2 (0.80) DRD2CHRM1DRD3LMNACHRM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653257-B2 Dibenzothiazepine derivatives and uses thereof—424 ASTRAZENECA AB (SE) 2014-02-18 US disclosed
EP-2307389-B1 DIBENZOTHIAZEPINE DERIVATIVE AND USE THEREOF ASTRAZENECA AB (SE) 2013-01-23 EP disclosed
US-20120202991-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 ASTRAZENECA AB (SE) 2012-08-09 US disclosed
US-20110160184-A1 Dibenzothiazepine Derivatives and Use Thereof ASTRAZENECA AB (SE) 2011-06-30 US disclosed
WO-2009154563-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USE THEREOF ASTRAZENECA AB (SE) 2009-12-23 WO 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 (2 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-20110160184-A1 Dibenzothiazepine Derivatives and Use Thereof DRD2, DRD4, GABBR1 DRD2 1/4885CHRM1 1350/4885DRD3 8/4885
US-20120202991-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 DRD4, DRD2, GABBR1 DRD2 2/4885CHRM1 1781/4885DRD3 12/4885

“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.