SCHEMBL4833167

SCHEMBL4833167

CC(C)NC1(C(N)=O)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 9/20 0.47
CYP2C9 P11712 7/20 0.47
CYP2C19 P33261 5/20 0.47
TSHR P16473 5/20 0.43
CYP1A2 P05177 4/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 2/20 0.43
HIF1A Q16665 3/20 0.43
OPRD1 P41143 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL4841560 0.85 CYP3A4 (0.49) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4840601 0.84 CYP2D6 (0.46) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4842739 0.83 CYP2D6 (0.46) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4840944 0.82 CYP3A4 (0.46) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4833105 0.78 MEN1 (0.48) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6206565 0.77 CYP3A4 (0.52) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL12030770 0.76 ALDH1A1 (0.42) CYP2D6ALDH1A1KMT2AKDM4E
SCHEMBL1488639 0.75 CYP3A4 (0.50) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4839436 0.75 CYP3A4 (0.50) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL31740601 0.74 NPSR1 (0.50) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19

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 16 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
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
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
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 (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-20060241120-A1 Cannabinoid Receptor Ligands and Uses Thereof CNR1, CNR2, GPR18 CYP2D6 1404/4885ALDH1A1 1926/4885CYP3A4 1936/4885
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CYP2D6 1363/4885ALDH1A1 1683/4885CYP3A4 1886/4885
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CYP2D6 1363/4885ALDH1A1 1683/4885CYP3A4 1886/4885
US-20040092520-A1 Purine compounds and uses thereof CNR1, CNR2, P2RY1 CYP2D6 867/4885ALDH1A1 621/4885CYP3A4 1342/4885

“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.