SCHEMBL839320

SCHEMBL839320

Cn1cc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC3)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
HTR1D P28221 2/20 0.45
BRAF P15056 1/20 0.43
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
TTK P33981 1/20 0.42
KCNH2 Q12809 2/20 0.42
USP30 Q70CQ3 4/20 0.41
ABL1 P00519 2/20 0.39
RET P07949 1/20 0.38
RIPK2 O43353 1/20 0.38

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
SCHEMBL3807675 1.00 MTNR1A (0.46) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL839817 0.89 SCN9A (0.54) MTNR1AMTNR1BBRAFSCN5ASCN9A
SCHEMBL841202 0.85 SCN9A (0.55) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL7031626 0.80 KCNH2 (0.56) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL4788640 0.80 KCNH2 (0.56) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL7031622 0.80 KCNH2 (0.56) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL839801 0.80 MTNR1A (0.46) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL4786804 0.78 MTNR1A (0.55) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL4788623 0.74 DRD2 (0.56) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL4786508 0.74 DRD2 (0.56) MTNR1AMTNR1BDRD2DRD3HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US claimed
US-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2010-06-03 US claimed
EP-2158198-B1 N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2013-03-20 EP disclosed
US-20120238579-A1 New Compounds 806 BESIDKI YEVGENI (SE) 2012-09-20 US disclosed
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2010-06-03 US disclosed
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 EP disclosed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 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-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OPRL1, OPRK1, OPRD1 MTNR1A 191/4885MTNR1B 271/4885DRD2 2083/4885
US-20120238579-A1 New Compounds 806 CYP2B6, CYP11B2, NDUFS6 MTNR1A 1614/4885MTNR1B 943/4885DRD2 2727/4885

“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.