SCHEMBL3440772

SCHEMBL3440772

COC(=O)c1cc(N)cc2c1CN(C)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
THRB P10828 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
BLM P54132 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
SLC6A4 P31645 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3440743 0.79 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL4258057 0.78 ACHE (0.44) KMT2AKDM4EGAAALDH1A1
SCHEMBL3454882 0.77 PRMT5 (0.50) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL29310333 0.72 MAOA (0.41) CHRM1MAOAMAOBSLC6A4CYP1A2
SCHEMBL22859030 0.72 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL31213749 0.72 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL29310310 0.71 KDM4E (0.42) KDM4EMAOAMAOBSLC6A4CYP1A2
SCHEMBL20214765 0.71 MAOA (0.40) MAOAMAOBSLC6A4CYP1A2CYP2D6
SCHEMBL14287199 0.69 GABRA1 (0.47) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL22859092 0.69 PRMT5 (0.47) GRIA1GRIA2GRIA3GRIA4KMT2A

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 GRIA1 1333/4885GRIA2 1490/4885GRIA3 439/4885

“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.