Sugi Predict

Sugi Predict / Compounds / SCHEMBL377565

SCHEMBL377565

SCHEMBL377565

COc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)ccc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.68
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ MAPT P10636 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ DNMT3A Q9Y6K1 1/20 0.51
▸ NSD2 O96028 1/20 0.50
▸ PTPN2 P17706 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ PTPN6 P29350 1/20 0.49
▸ STS P08842 1/20 0.48
▸ F13A1 P00488 1/20 0.48
▸ TGM2 P21980 1/20 0.48
▸ TGM1 P22735 1/20 0.48
▸ DDB1 Q16531 1/20 0.47
▸ CRBN Q96SW2 1/20 0.47
▸ GPR119 Q8TDV5 3/20 0.47
▸ DPP4 P27487 1/20 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
SCHEMBL377564 0.91 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL1704497 0.90 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL18970132 0.87 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL27262060 0.87 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL27262062 0.85 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL6154127 0.85 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL27262098 0.84 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL30826579 0.84 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL27262061 0.84 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL18970133 0.83 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AMAPTMAPK1

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 23 patents — showing the first 20. 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-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 — — US disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 — — US disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 — — US disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 — — EP disclosed
EP-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 — — EP disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 — — US disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 — — US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 — — US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 — — US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 — — US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 — — US disclosed
EP-2029538-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2009-03-04 — — 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-2007144400-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-12-21 — — WO disclosed
WO-2007144400-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-12-21 — — WO 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 (4 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 ALDH1A1 1817/4885NPC1 840/4885RAB9A 2456/4885
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 ALDH1A1 3575/4885NPC1 711/4885RAB9A 1808/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 ALDH1A1 1802/4885NPC1 615/4885RAB9A 1747/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 ALDH1A1 3575/4885NPC1 711/4885RAB9A 1808/4885

“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.