SCHEMBL5116021

SCHEMBL5116021

N#CCC[N]Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRNA7 P36544 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CYP2A6 P11509 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
P2RX7 Q99572 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KIF20A O95235 1/20 0.37
MAPK10 P53779 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL3936550 0.82 CYP1A2 (0.58) CYP1A2CYP2D6CHRNA7L3MBTL1CHRNB2
SCHEMBL3939354 0.78 ALDH1A1 (0.42) CYP1A2CYP2A6ALDH1A1SMN1; SMN2TSHR
SCHEMBL4882673 0.77 TDP1 (0.53) CYP1A2CYP2D6CHRNA7L3MBTL1CHRNB2
SCHEMBL255080 0.77 CHRNA7 (0.57) CYP1A2CYP2D6CHRNA7L3MBTL1CHRNB2
SCHEMBL5724954 0.74 CYP2A6 (0.59) CYP1A2CYP2D6CHRNA7L3MBTL1CYP2A6
SCHEMBL5113239 0.73 CHRNB2 (0.43) CYP1A2CYP2D6CHRNA7L3MBTL1CHRNB2
SCHEMBL6143020 0.73 ALDH1A1 (0.43) CYP1A2CYP2D6CHRNA7L3MBTL1CHRNB2
SCHEMBL8404150 0.73 CHRNB2 (0.52) CYP1A2CYP2D6CHRNA7L3MBTL1CHRNB2
SCHEMBL29493676 0.72
SCHEMBL254758 0.72

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-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-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 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 CYP1A2 1960/4885CYP2D6 1736/4885CHRNA7 785/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R CYP1A2 2372/4885CYP2D6 2011/4885CHRNA7 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.