SCHEMBL3440773

SCHEMBL3440773

CN1CCc2cc(N)cnc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 0.39
SLC6A4 P31645 1/20 0.39
DRD2 P14416 3/20 0.37
CYP2C19 P33261 2/20 0.37
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CHRM1 P11229 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35

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
SCHEMBL3440728 0.86 CYP2C19 (0.44) MAOAMAOBGRIN2DGRIN3BGRIN1
SCHEMBL29520297 0.86 CYP2C19 (0.44) MAOAMAOBGRIN2DGRIN3BGRIN1
SCHEMBL16181313 0.81 MAOA (0.41) MAOAMAOBGRIN2DGRIN3BGRIN1
SCHEMBL24253289 0.77 MAOA (0.38) MAOAMAOBSLC6A4DRD2CYP2C19
SCHEMBL30620407 0.76 NNMT (0.46) CYP2C19
SCHEMBL16519548 0.75 GRM5 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13970864 0.75 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29730794 0.74 LMNA (0.43) DRD2DRD4DRD3
SCHEMBL20719871 0.74 CYP2C19 (0.36) CYP2C19
SCHEMBL29630888 0.74 NR1H2 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
US-7807693-B2 Substituted prolinamides, manufacturing, and the use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 US disclosed
EP-2051975-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS Boehringer Ingelheim International GmbH (DE) 2009-04-29 EP disclosed
US-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2008-06-12 US disclosed
WO-2007131982-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 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 (1 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-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS PPID, PREP, P4HA1 MAOA 1909/4885MAOB 972/4885GRIN2D 356/4885

“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.