SCHEMBL5839699

SCHEMBL5839699

CCCCCC(N)N1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DPP7 Q9UHL4 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SPHK1 Q9NYA1 2/20 0.36
TP53 P04637 2/20 0.35
LAP3 P28838 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 2/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8390873 1.00 OPRM1 (0.43) OPRM1L3MBTL1MAPTMAPK1NPSR1
SCHEMBL7771636 0.94 HRH3 (0.42) OPRM1L3MBTL1MAPTMAPK1NPSR1
SCHEMBL9417420 0.94 OPRM1 (0.44) OPRM1L3MBTL1MAPTMAPK1NPSR1
SCHEMBL2914564 0.91 HRH3 (0.40) OPRM1L3MBTL1MAPTMAPK1NPSR1
SCHEMBL1615233 0.89 OPRM1 (0.48) OPRM1MAPTSPHK1TP53LAP3
SCHEMBL28298745 0.87 OPRM1 (0.46) OPRM1MAPTSPHK1TP53LAP3
SCHEMBL1614413 0.87 OPRM1 (0.46) OPRM1MAPTSPHK1TP53LAP3
SCHEMBL28298671 0.87 OPRM1 (0.46) OPRM1MAPTSPHK1TP53LAP3
SCHEMBL1615271 0.87 OPRM1 (0.46) OPRM1MAPTSPHK1TP53LAP3
SCHEMBL1614359 0.87 OPRM1 (0.46) OPRM1MAPTSPHK1TP53LAP3

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
US-6252115-B1 ADDING TO THE DISTILLATION MIXTURE AN INERT COMPOUND HAVING A BOILING POINT HIGHER THAN THE AMINE BASF AKTIENGESELLSCHAFT (DE) 2001-06-26 US claimed
EP-0964847-A1 METHOD FOR SEPARATING AN IMINE FROM A MIXTURE CONTAINING AN AMINE AND AN IMINE BASF AKTIENGESELLSCHAFT (DE) 1999-12-22 EP claimed
WO-1998034900-A1 METHOD FOR SEPARATING AN IMINE FROM A MIXTURE CONTAINING AN AMINE AND AN IMINE BASF AKTIENGESELLSCHAFT (DE) 1998-08-13 WO claimed
US-7147757-B2 Method for separating an azepine derivative out of a mixture containing an amine an azepine derivative BASF AKTIENGESELLSCHAFT (DE) 2006-12-12 US disclosed
CN-1234685-C Method for separation azepine derivative out of mixture contg. amine and azepine derivative BASF AG (DE) 2006-01-04 CN disclosed
CN-1416418-A Method for separation azepine derivative out of mixture contg. amine and azepine derivative BASF AG (DE) 2003-05-07 CN disclosed
US-20030023083-A1 Method for separating an azepine derivative out of a mixture containing an amine an azepine derivative BASF AKTIENGESELLSCHAFT (DE) 2003-01-30 US disclosed
EP-1261580-A1 METHOD FOR SEPARATING AN AZEPINE DERIVATIVE OUT OF A MIXTURE CONTAINING AN AMINE AND AN AZEPINE DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 2002-12-04 EP disclosed
US-6300497-B1 DISTILLATION BASF AKTIENGESELLSCHAFT (DE) 2001-10-09 US disclosed
WO-2001066514-A1 METHOD FOR SEPARATING AN AZEPINE DERIVATIVE OUT OF A MIXTURE CONTAINING AN AMINE AND AN AZEPINE DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 2001-09-13 WO disclosed
EP-1064266-A2 METHOD FOR SEPARATING AN AZEPINE DERIVATIVE FROM A MIXTURE CONTAINING AN AMINE AND AN AZEPINE DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 2001-01-03 EP disclosed
WO-1999048872-A3 METHOD FOR SEPARATING AN AZEPINE DERIVATIVE FROM A MIXTURE CONTAINING AN AMINE AND AN AZEPINE DERIVATIVE BASF AG (DE) 1999-12-02 WO disclosed
WO-1999048872-A2 METHOD FOR SEPARATING AN AZEPINE DERIVATIVE FROM A MIXTURE CONTAINING AN AMINE AND AN AZEPINE DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 1999-09-30 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-20030023083-A1 Method for separating an azepine derivative out of a mixture containing an amine an azepine derivative HTR5A, HTR3B, HTR3E OPRM1 322/4885L3MBTL1 4844/4885MAPT 2591/4885

“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.