SCHEMBL840448

SCHEMBL840448

N[C@@H]1CCc2cccc(-c3ccncc3)c2C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
ANPEP P15144 2/20 0.46
IL1RN P18510 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43

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
Ammonia Solution, Strong SCHEMBL3737200 0.98 ANPEP (0.45) PLAUANPEPIL1RNERAP2ERAP1
SCHEMBL841738 0.84 DRD2 (0.43) PLAUANPEPIL1RNERAP2ERAP1
Ammonia Solution, Strong SCHEMBL3727065 0.83 DRD2 (0.42) PLAUANPEPIL1RNERAP2ERAP1
SCHEMBL840176 0.79 DRD2 (0.51) PLAUDRD2DRD3
SCHEMBL841194 0.78 DRD2 (0.43) PLAUANPEPIL1RNERAP2ERAP1
Ammonia Solution, Strong SCHEMBL3739560 0.78 DRD2 (0.50) PLAUDRD2DRD3
SCHEMBL839933 0.76 DRD2 (0.45) PLAUDRD2DRD3
SCHEMBL841229 0.76 DRD2 (0.42) PLAUDRD2DRD3
SCHEMBL840914 0.75 DRD2 (0.50) PLAUDRD2DRD3
SCHEMBL841287 0.75 DRD2 (0.50) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158198-B1 N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2013-03-20 EP disclosed
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-20120238579-A1 New Compounds 806 BESIDKI YEVGENI (SE) 2012-09-20 US 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-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-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
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
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
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 PLAU 3907/4885ANPEP 1485/4885IL1RN 359/4885
US-20120238579-A1 New Compounds 806 CYP2B6, CYP11B2, NDUFS6 PLAU 2278/4885ANPEP 2071/4885IL1RN 1271/4885

“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.