SCHEMBL130950

SCHEMBL130950

CN1CCN(C2CCC/C(=N\O)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ESR2 Q92731 1/20 0.31
CHRNA7 P36544 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ACHE P22303 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL152183 1.00 L3MBTL3 (0.33) L3MBTL3L3MBTL1TSHRCASP1MAPT
SCHEMBL13497277 1.00 L3MBTL3 (0.33) L3MBTL3L3MBTL1TSHRCASP1MAPT
SCHEMBL131443 0.83 CHRNA7 (0.50) TSHRCASP1TP53CHRNA7SIGMAR1
SCHEMBL132222 0.80 SMN1; SMN2 (0.38) L3MBTL3L3MBTL1TSHRCASP1ESR2
SCHEMBL6923393 0.79 CHRNA7 (0.34) L3MBTL3L3MBTL1TSHRCASP1CHRNA7
SCHEMBL15320526 0.79 CHRNA7 (0.34) L3MBTL3L3MBTL1TSHRCASP1CHRNA7
SCHEMBL6922726 0.77 HTR6 (0.36) L3MBTL3L3MBTL1TSHRCASP1CHRNA7
SCHEMBL2050194 0.77 HTR6 (0.36) L3MBTL3L3MBTL1TSHRCASP1CHRNA7
SCHEMBL2050198 0.77 HTR6 (0.36) L3MBTL3L3MBTL1TSHRCASP1CHRNA7
SCHEMBL131020 0.74 MAPK1 (0.47) L3MBTL3L3MBTL1TSHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2611810-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES Grünenthal GmbH (DE) 2013-07-10 EP disclosed
EP-2318383-B1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-07-03 EP disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
WO-2012028331-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES Grünenthal GmbH (DE) 2012-03-08 WO disclosed
WO-2012028331-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES Grünenthal GmbH (DE) 2012-03-08 WO disclosed
US-20110301350-A1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
EP-2318383-A1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2011-05-11 EP disclosed
WO-2010017850-A1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 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 (3 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-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds BDKRB1, BDKRB2, LTB4R L3MBTL3 4558/4885L3MBTL1 4265/4885TSHR 975/4885
US-20110301350-A1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS CCNB1, CCNB2, CYP1B1 L3MBTL3 3921/4885L3MBTL1 3957/4885TSHR 1194/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 L3MBTL3 2561/4885L3MBTL1 1325/4885TSHR 586/4885

“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.