SCHEMBL3296377

SCHEMBL3296377

Cc1cc(N2CCNCC2)nc(C(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
HRH4 Q9H3N8 4/20 0.46
NCF1 P14598 3/20 0.46
ADRB1 P08588 2/20 0.46
ADRB2 P07550 2/20 0.42
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL13741399 0.86 ADRB2 (0.48) CASP1CASP4CASP5HRH4NCF1
SCHEMBL2349531 0.84 HRH4 (0.48) CASP1CASP4CASP5HRH4NCF1
SCHEMBL2001016 0.80 CASP1 (0.44) CASP1CASP4CASP5HRH4NCF1
SCHEMBL1045813 0.80 DRD2 (0.50) DRD2DRD3
SCHEMBL14538233 0.80 CASP1 (0.53) CASP1CASP4CASP5HRH4NCF1
SCHEMBL30376883 0.80 CASP1 (0.53) CASP1CASP4CASP5HRH4NCF1
SCHEMBL1764194 0.79 CASP1 (0.43) CASP1CASP4CASP5HRH4NCF1
SCHEMBL2346634 0.79 HRH4 (0.57) CASP1CASP4CASP5HRH4NCF1
SCHEMBL1763839 0.78 CASP1 (0.42) CASP1CASP4CASP5HRH4NCF1
SCHEMBL4390504 0.78 CASP1 (0.42) CASP1CASP4CASP5HRH4NCF1

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-7723384-B2 Keto lactam compounds and use thereof ABBOTT GMBH & CO. KG. (DE) 2010-05-25 US disclosed
EP-1692129-B1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-08-20 EP disclosed
US-20070219182-A1 Keto Lactam Compounds and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-09-20 US disclosed
EP-1692129-A1 KETO LACTAM COMPOUNDS AND USE THEREOF Abbott GmbH & Co. KG (DE) 2006-08-23 EP disclosed
EP-1484330-B1 Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG (DE) 2005-10-26 EP disclosed
US-6919342-B2 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2005-07-19 US disclosed
WO-2005056546-A1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2005-06-23 WO disclosed
US-20040259882-A1 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-12-23 US disclosed
WO-2004108706-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2004-12-16 WO disclosed
EP-1484330-A1 Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2004-12-08 EP 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-20040259882-A1 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor DRD3, SLC6A3, DRD2 CASP1 3071/4885CASP4 4243/4885CASP5 3888/4885
US-20070219182-A1 Keto Lactam Compounds and Use Thereof OPRD1, DRD3, OPRK1 CASP1 1709/4885CASP4 3673/4885CASP5 3731/4885

“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.