SCHEMBL6094897

SCHEMBL6094897

O=C(OCc1ccccc1)N1CC2CNCC2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CHRNA4 P43681 6/20 0.55
CHRNB2 P17787 5/20 0.55
CHRNB4 P30926 5/20 0.55
CHRNA3 P32297 5/20 0.55
CHRNA7 P36544 4/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.53
F13A1 P00488 1/20 0.50
TGM2 P21980 1/20 0.50
TGM1 P22735 1/20 0.50
HTT P42858 1/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
GRIN2B Q13224 2/20 0.46

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
SCHEMBL30993374 1.00 HTR2C (0.62) HTR2CSMN1; SMN2NPC1RAB9ACHRNA4
SCHEMBL31288321 1.00 HTR2C (0.62) HTR2CSMN1; SMN2NPC1RAB9ACHRNA4
Hydrochloric Acid SCHEMBL19742033 0.99 HTR2C (0.60) HTR2CSMN1; SMN2NPC1RAB9ACHRNA4
SCHEMBL10054008 0.91 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9ACHRNA4
SCHEMBL7195745 0.89 HTR2C (0.54) HTR2CSMN1; SMN2NPC1RAB9ACHRNA4
SCHEMBL3717717 0.86 SMN1; SMN2 (0.64) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL12836007 0.86 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3628114 0.86 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31229906 0.86 SMN1; SMN2 (0.54) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL24025419 0.85 SMN1; SMN2 (0.67) HTR2CSMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174879-B1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2018-07-18 EP disclosed
EP-3174879-B1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2018-07-18 EP disclosed
EP-3174879-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C Boehringer Ingelheim International GmbH (DE) 2017-06-07 EP disclosed
US-9440960-B2 Substituted oxetanes and their use as inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-13 US disclosed
US-9440960-B2 Substituted oxetanes and their use as inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-13 US disclosed
WO-2016016242-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 WO disclosed
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 US disclosed
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 US disclosed
WO-2016016242-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 WO disclosed
US-7144914-B2 3,7-diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-05 US disclosed
EP-1360187-B1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1360187-A1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-11-12 EP disclosed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 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-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, CACNA1E HTR2C 2892/4885SMN1; SMN2 3434/4885NPC1 1255/4885
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C CTSE, CTSC, CTSZ HTR2C 1881/4885SMN1; SMN2 3971/4885NPC1 200/4885

“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.