SCHEMBL4840599

SCHEMBL4840599

NC(=O)C1(NCCCc2ccccc2)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
CNR1 P21554 3/20 0.45
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
EPHX2 P34913 7/20 0.41
KDM4A O75164 1/20 0.41
ATM Q13315 1/20 0.40
CNR2 P34972 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4842733 0.99 OPRL1 (0.45) OPRL1OPRM1OPRD1OPRK1CNR1
SCHEMBL4833105 0.85 MEN1 (0.48) OPRL1OPRM1OPRD1OPRK1HDAC4
SCHEMBL4840944 0.81 CYP3A4 (0.46) OPRL1OPRM1OPRD1OPRK1CNR1
SCHEMBL4841560 0.76 CYP3A4 (0.49) OPRD1ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL4840601 0.76 CYP2D6 (0.46) ALDH1A1ATMCYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4842739 0.75 CYP2D6 (0.46) ALDH1A1ATMCYP2D6CYP2C9CYP2C19
SCHEMBL4833167 0.74 CYP2D6 (0.52) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL1488416 0.74 MEN1 (0.50) OPRL1OPRM1OPRD1OPRK1HDAC4
SCHEMBL1488639 0.70 CYP3A4 (0.50) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL3835434 0.69 KMT2A (0.47) OPRL1OPRM1OPRD1OPRK1CNR1

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 18 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
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-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US 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-1638570-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2006-03-29 EP disclosed
EP-1594872-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2005-11-16 EP 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-2004110453-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-12-23 WO disclosed
WO-2004069838-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-08-19 WO 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-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-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 OPRL1 4/4885OPRM1 7/4885OPRD1 24/4885
US-20040157838-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 OPRL1 4/4885OPRM1 6/4885OPRD1 9/4885
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 OPRL1 4/4885OPRM1 6/4885OPRD1 9/4885
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 OPRL1 4/4885OPRM1 6/4885OPRD1 9/4885
US-20040092520-A1 Purine compounds and uses thereof CNR1, CNR2, P2RY1 OPRL1 26/4885OPRM1 28/4885OPRD1 76/4885

“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.