SCHEMBL2568569

SCHEMBL2568569

c1cc(CCNC2CC2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.51
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
HSD17B10 Q99714 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GRIN1 Q05586 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL10995268 0.91 TAAR1 (0.59) GRIN2BROCK2ROCK1TAAR1HSD17B10
SCHEMBL31336925 0.88 SOS1 (0.46) GRIN2BROCK2ROCK1JAK2JAK1
SCHEMBL2093428 0.84 GRIN2B (0.41) GRIN2BROCK2ROCK1JAK2JAK1
SCHEMBL20445923 0.81 KCNH2 (0.43) GRIN2BROCK2ROCK1JAK2JAK1
SCHEMBL662613 0.79 KDM4E (0.59) GRIN2BHRH3ALDH1A1SMN1; SMN2
SCHEMBL662411 0.79 GRIN2B (0.76) GRIN2BROCK2ROCK1TAAR1OPRM1
SCHEMBL30034899 0.78 GRIN2B (0.48) GRIN2BHRH3OPRM1OPRL1GRIN1
SCHEMBL27603844 0.76 GRIN2B (0.51) GRIN2BROCK2ROCK1TAAR1HRH3
SCHEMBL1239334 0.76 TAAR1 (0.53) GRIN2BTAAR1OPRM1OPRL1ALDH1A1
SCHEMBL2466540 0.76 GRIN2B (0.51) GRIN2BTAAR1HRH3OPRM1OPRL1

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 19 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
CN-1440401-A Amino substituted dibenzothiophene derivatives for treatmnt of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2003-09-03 CN 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
EP-2382274-B1 AQUEOUS COATING COMPOSITION COMPRISING PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF COATINGS GMBH (DE) 2015-04-22 EP disclosed
CN-102272246-B Pyridine group-containing electrocoat resin BASF COATINGS GMBH 2014-09-17 CN disclosed
CN-102272246-A Pyridine group-containing electrocoat resin 2011-12-07 CN disclosed
EP-2382274-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF Coatings GmbH (DE) 2011-11-02 EP disclosed
WO-2010077404-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF COATINGS GMBH (US) 2010-07-08 WO disclosed
US-20100167069-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF CORPORATION (US) 2010-07-01 US disclosed
US-20100167071-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT COMPOSITION WITH METAL OXIDE BASF CORPORATION (US) 2010-07-01 US disclosed
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
CN-1440401-A Amino substituted dibenzothiophene derivatives for treatmnt of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2003-09-03 CN 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 GRIN2B 548/4885ROCK2 3862/4885ROCK1 3588/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R GRIN2B 571/4885ROCK2 3235/4885ROCK1 2944/4885

“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.