SCHEMBL4188535

SCHEMBL4188535

O=C(O)CC(=O)Oc1ccc(CN2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.54
MGLL Q99685 1/20 0.51
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
FNTA P49354 2/20 0.49
FNTB P49356 2/20 0.49
PGGT1B P53609 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL24199876 0.83 SIGMAR1 (0.68) FAAHALDH1A1CYP2D6HRH3
SCHEMBL4192541 0.83 KMT2A (0.56) FAAHALDH1A1FNTAFNTBPGGT1B
SCHEMBL4175788 0.82 PDK1 (0.48) FAAHMGLL
SCHEMBL1704512 0.81 ALDH1A1 (0.66) FAAHALDH1A1CYP3A4CYP2D6MAPK1
SCHEMBL20353635 0.81 FAAH (0.60) FAAHMEN1KMT2ANPSR1
SCHEMBL24200046 0.80 NPSR1 (0.58) ALDH1A1FNTAFNTBPGGT1BMEN1
SCHEMBL29132085 0.80 SIGMAR1 (0.59) FAAHALDH1A1FNTAFNTBPGGT1B
SCHEMBL4595454 0.79 KMT2A (0.57) FAAHALDH1A1MAPK1FNTAFNTB
SCHEMBL13150118 0.79 KMT2A (0.63) FAAHMEN1KMT2ANPSR1NPC1
SCHEMBL13150170 0.78 KDM4E (0.60) USP2ALDH1A1CYP3A4CYP2D6FNTA

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 3 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
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 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 (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 FAAH 682/4885MGLL 1542/4885USP2 3711/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 FAAH 725/4885MGLL 1216/4885USP2 4494/4885

“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.