SCHEMBL5115276

SCHEMBL5115276

CN(CCC[NH])Cc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.65
CHRNA4 P43681 3/20 0.65
CHRNA7 P36544 1/20 0.51
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RIPK1 Q13546 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 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
SCHEMBL11922687 0.85 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7MAPK1KDM4E
SCHEMBL9674133 0.85 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7MAPK1KDM4E
SCHEMBL13512579 0.84 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA7MAPK1KDM4E
SCHEMBL5115281 0.84 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA7MAPK1KDM4E
SCHEMBL6585395 0.83 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA7MAPK1TDP1
SCHEMBL10028665 0.82 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7MAPK1KDM4E
SCHEMBL16627431 0.81 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA7MAPK1KDM4E
SCHEMBL13509698 0.80 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7MAPK1KDM4E
SCHEMBL9827841 0.80 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7MAPK1KDM4E
SCHEMBL4862940 0.80 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-09-22 US disclosed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 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-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor NPY5R, NPY1R, NPY2R CHRNB2 528/4885CHRNA4 648/4885CHRNA7 785/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R CHRNB2 448/4885CHRNA4 546/4885CHRNA7 769/4885

“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.