SCHEMBL4833027

SCHEMBL4833027

CC(C)NC1(C(N)=O)CNC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1 O15118 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
Hydrochloric Acid SCHEMBL4837370 0.98 KDM4E (0.41) KDM4EKMT2AALDH1A1CYP2D6NPC1
SCHEMBL8441280 0.85 KDM4E (0.55) KDM4EKMT2AALDH1A1CYP2D6
SCHEMBL12258804 0.80 ALDH1A1 (0.51) KDM4EKMT2AALDH1A1CYP2D6NPC1
SCHEMBL5240027 0.80 KDM4E (0.63) KDM4EKMT2AALDH1A1CYP2D6
SCHEMBL8193648 0.78 ALDH1A1 (0.50) KDM4EKMT2AALDH1A1CYP2D6
SCHEMBL12870586 0.78 ALDH1A1 (0.50) KDM4EKMT2AALDH1A1CYP2D6
SCHEMBL12869546 0.77 ALDH1A1 (0.49) KDM4EKMT2AALDH1A1CYP2D6
SCHEMBL4844845 0.76
SCHEMBL21916515 0.75 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1CYP2D6
SCHEMBL15461451 0.75 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
EP-1558615-B8 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-10-10 EP disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
EP-1558615-B1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-08-29 EP disclosed
EP-1558615-B1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-08-29 EP disclosed
US-7129239-B2 Purine compounds and uses thereof PFIZER INC. (US) 2006-10-31 US disclosed
US-20060241120-A1 Cannabinoid Receptor Ligands and Uses Thereof PFIZER INC 2006-10-26 US disclosed
CN-1768061-A Pyrazolo[1,5-a][1,3,5]triazine derivatives as cannabinoid receptor ligands PFIZER PROD INC (US) 2006-05-03 CN disclosed
EP-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 EP disclosed
EP-1558615-A1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-08-03 EP disclosed
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040092520-A1 Purine compounds and uses thereof PFIZER INC. 2004-05-13 US disclosed
WO-2004037823-A1 PURINE COMPOUNDS AND USES THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-05-06 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 (5 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-20060241120-A1 Cannabinoid Receptor Ligands and Uses Thereof CNR1, CNR2, GPR18 KDM4E 3352/4885KMT2A 3785/4885ALDH1A1 1926/4885
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 KDM4E 3361/4885KMT2A 3816/4885ALDH1A1 1683/4885
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 KDM4E 3361/4885KMT2A 3816/4885ALDH1A1 1683/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 KDM4E 3361/4885KMT2A 3816/4885ALDH1A1 1683/4885
US-20040092520-A1 Purine compounds and uses thereof CNR1, CNR2, P2RY1 KDM4E 3634/4885KMT2A 3941/4885ALDH1A1 621/4885

“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.