SCHEMBL4841560

SCHEMBL4841560

CNC1(C(N)=O)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.49
CYP2D6 P10635 11/20 0.49
CYP2C9 P11712 9/20 0.49
CYP2C19 P33261 5/20 0.49
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HIF1A Q16665 3/20 0.43
OPRD1 P41143 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 5/20 0.42
CYP1A2 P05177 5/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 4/20 0.42
MAPK1 P28482 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 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
SCHEMBL6206565 0.89 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4833167 0.85 CYP2D6 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4840944 0.84 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4833105 0.80 MEN1 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4840601 0.79 CYP2D6 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
Hydrochloric Acid SCHEMBL4842739 0.78 CYP2D6 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL1488639 0.78 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4839436 0.77 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4840599 0.76 OPRL1 (0.46) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4842733 0.75 OPRL1 (0.45) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100478343-C Purine compound and use as cannabinoid receptor ligands PFIZER (US) 2009-04-15 CN disclosed
CN-100439369-C Purine compounds and their use as cannabinoid receptor ligands PFIZER (US) 2008-12-03 CN 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
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 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
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 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
WO-2004069838-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
US-20040157838-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-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-20040157838-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CYP3A4 1886/4885CYP2D6 1363/4885CYP2C9 1487/4885
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CYP3A4 1886/4885CYP2D6 1363/4885CYP2C9 1487/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CYP3A4 1886/4885CYP2D6 1363/4885CYP2C9 1487/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 CYP3A4 1936/4885CYP2D6 1404/4885CYP2C9 1469/4885
US-20040092520-A1 Purine compounds and uses thereof CNR1, CNR2, P2RY1 CYP3A4 1342/4885CYP2D6 867/4885CYP2C9 1092/4885

“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.