SCHEMBL4192541

SCHEMBL4192541

O=C(O)Cc1ccc(CN2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
FNTA P49354 2/20 0.54
FNTB P49356 2/20 0.54
PGGT1B P53609 2/20 0.54
KDM4E B2RXH2 3/20 0.53
CYP2C19 P33261 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.52
FAAH O00519 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50

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
SCHEMBL20353635 0.87 FAAH (0.60) KMT2AMEN1NPSR1FAAH
SCHEMBL1704512 0.87 ALDH1A1 (0.66) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL24200046 0.86 NPSR1 (0.58) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL29132085 0.86 SIGMAR1 (0.59) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL4595454 0.85 KMT2A (0.57) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL24199876 0.85 SIGMAR1 (0.68) ALDH1A1LMNAHTTKDM4EFAAH
SCHEMBL13150170 0.84 KDM4E (0.60) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL8642538 0.84 MEN1 (0.59) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL12018089 0.84 KMT2A (0.56) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL4188531 0.84 KMT2A (0.52) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 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-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 KMT2A 3278/4885MEN1 3996/4885NPSR1 133/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 KMT2A 3208/4885MEN1 3015/4885NPSR1 136/4885

“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.