SCHEMBL1751545

SCHEMBL1751545

c1ccc(-c2ccc(NCC3CCCN3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.51
POLB P06746 1/20 0.45
ADRB1 P08588 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
PRMT5 O14744 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRND Q07001 1/20 0.39
HTR6 P50406 2/20 0.38

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
SCHEMBL4654443 1.00 LTA4H (0.51) LTA4HPOLBADRB1IRAK4PRMT5
SCHEMBL3329262 0.90 LTA4H (0.52) LTA4HPOLBIRAK4CHRNB2CHRNA4
SCHEMBL1116568 0.90 LTA4H (0.52) LTA4HPOLBIRAK4CHRNB2CHRNA4
SCHEMBL1116569 0.90 LTA4H (0.52) LTA4HPOLBIRAK4CHRNB2CHRNA4
SCHEMBL4374404 0.85 POLB (0.57) LTA4HPOLBPRMT5
SCHEMBL4320568 0.85 LTA4H (0.58) LTA4HPOLBCHRNB2CHRNA4
SCHEMBL13808903 0.85 LTA4H (0.58) LTA4HPOLBCHRNB2CHRNA4
SCHEMBL4381640 0.84 POLB (0.56) LTA4HPOLBPRMT5
SCHEMBL4324109 0.84 LTA4H (0.58) LTA4HCHRNB2CHRNA4
SCHEMBL4485187 0.81 FPR3 (0.49) LTA4HIRAK4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 US claimed
EP-1986996-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST Abiogen Pharma S.p.A. (IT) 2008-11-05 EP claimed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 WO claimed
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 US 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-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 LTA4H 33/4885POLB 1541/4885ADRB1 613/4885

“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.