SCHEMBL5764841

SCHEMBL5764841

O=C(OCc1ccccc1)N1CC(c2ccccc2)=CC1CO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR2C P28335 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AGTR2 P50052 1/20 0.40
PARP1 P09874 1/20 0.40
PREP P48147 1/20 0.40

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
SCHEMBL5764834 1.00 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5764346 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5764352 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9542815 0.83 NPC1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5766697 0.83 NPC1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5766692 0.83 NPC1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25827460 0.82 HTR2C (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25364859 0.81 AGTR2 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL25364855 0.81 AGTR2 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6218732 0.79 NPC1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100371336-C Pyrrole derivatives for the treatment of cytokine mediated diseases SANKYO CO (JP) 2008-02-27 CN disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20050159444-A1 Bicyclic unsaturated tertiary amine compounds SANKYO COMPANY, LIMITED (JP) 2005-07-21 US disclosed
EP-1541571-A1 BICYCLIC UNSATURATED TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2005-06-15 EP disclosed
CN-1553911-A pyrrole derivatives, their preparation and their therapeutic use ������������ʽ���� 2004-12-08 CN disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 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-20050159444-A1 Bicyclic unsaturated tertiary amine compounds IL1B, IL1A, STAT6 PSEN1 3592/4885PSEN2 4044/4885APH1B 2607/4885
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B PSEN1 4729/4885PSEN2 4562/4885APH1B 2940/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A PSEN1 4811/4885PSEN2 4705/4885APH1B 3109/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A PSEN1 4503/4885PSEN2 4350/4885APH1B 2128/4885

“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.