SCHEMBL7044237

SCHEMBL7044237

COc1ccc(CCNCCNc2cc(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 8/20 1.00
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CRHR1 P34998 6/20 0.47
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PI4KB Q9UBF8 1/20 0.43

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
SCHEMBL7110712 0.88 NPY1R (0.78) NPY1RKDM4EALDH1A1MAPTHPGD
SCHEMBL7042428 0.85 NPY1R (0.74) NPY1RKDM4EALDH1A1MAPTHPGD
SCHEMBL7038636 0.81 NPY1R (0.74) NPY1RKDM4EALDH1A1MAPTHPGD
SCHEMBL7045715 0.78 NPY1R (0.64) NPY1RKDM4EALDH1A1CRHR1
SCHEMBL7044370 0.76 NPY1R (0.69) NPY1RKDM4EALDH1A1MAPTHPGD
SCHEMBL1594052 0.76 NPY1R (0.66) NPY1RKDM4EALDH1A1MAPTHPGD
SCHEMBL7041881 0.76 NPY1R (0.61) NPY1RKDM4EALDH1A1MAPTHPGD
SCHEMBL7041955 0.76 NPY1R (1.00) NPY1RKDM4EALDH1A1MAPTHPGD
SCHEMBL7046270 0.73 NPY1R (0.70) NPY1RKDM4EALDH1A1MAPTHPGD
SCHEMBL5728795 0.73 NPY1R (0.81) NPY1RKDM4EMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US claimed
US-6602508-B2 Reacting with a base to form a de-n-acetylated product, and depolymerizing with a nitrosation agent BAXTER INTERNATIONAL INC. 2003-08-05 US disclosed
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NEUROGEN CORPORATION (US) 2003-04-10 US disclosed
EP-0830380-B1 ANTIGENIC GROUP B STREPTOCOCCUS TYPE II AND TYPE III POLYSACCHARIDE FRAGMENTS HAVING A 2, 5-ANHYDRO-D-MANNOSE TERMINAL STRUCTURE AND CONJUGATE VACCINE THEREOF NORTH AMERICAN VACCINE INC (US) 2003-04-02 EP disclosed
EP-1218379-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP disclosed
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US disclosed
US-6372222-B1 Antigenic group B Streptococcus type II and type III polysaccharide fragments having a 2, 5-anhydro-D-mannose terminal structure and conjugate vaccine thereof BAXTER INTERNATIONAL INC. 2002-04-16 US disclosed
US-20020031526-A1 Antigenic group B streptococcus type II and type III polysaccharide fragments having a 2, 5-anhydro-D-mannose terminal structure and conjugate vaccine thereof MICHON FRANCIS (US) 2002-03-14 US disclosed
US-6284884-B1 DEPOLYMERIZATION AND REACTING WITH BASE TO FORM DE-N-ACETYLATED POLYSACCHARIDE; REACTING WITH NITROSATION AGENT NORTH AMERICAN VACCINE, INC. 2001-09-04 US disclosed
WO-2001023387-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 WO disclosed
EP-0830380-A1 ANTIGENIC GROUP B STREPTOCOCCUS TYPE II AND TYPE III POLYSACCHARIDE FRAGMENTS HAVING A 2, 5-ANHYDRO-D-MANNOSE TERMINAL STRUCTURE AND CONJUGATE VACCINE THEREOF NORTH AMERICAN VACCINE, INC. (CA) 1998-03-25 EP disclosed
WO-1996040795-A1 ANTIGENIC GROUP B STREPTOCOCCUS TYPE II AND TYPE III POLYSACCHARIDE FRAGMENTS HAVING A 2, 5-ANHYDRO-D-MANNOSE TERMINAL STRUCTURE AND CONJUGATE VACCINE THEREOF NORTH AMERICAN VACCINE, INC. (US) 1996-12-19 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-20020031526-A1 Antigenic group B streptococcus type II and type III polysaccharide fragments having a 2, 5-anhydro-D-mannose terminal structure and conjugate vaccine thereof ST3GAL3, MASP2, FUT5 NPY1R 994/4885KDM4E 2853/4885ALDH1A1 4239/4885
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NPY1R, NPY5R, NPY2R NPY1R 1/4885KDM4E 1742/4885ALDH1A1 2283/4885

“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.