SCHEMBL4838469

SCHEMBL4838469

Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
HDAC1 Q13547 1/20 0.39
KCNK3 O14649 7/20 0.39
KCNK9 Q9NPC2 7/20 0.39
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
RET P07949 2/20 0.36
SPR P35270 1/20 0.35
MAPK8 P45983 1/20 0.35
HSD11B1 P28845 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL4845268 0.89 BRAF (0.39) CNR1CNR2
SCHEMBL5381302 0.88 THRB (0.39) PARP1HDAC1KCNK3KCNK9CNR1
SCHEMBL4833651 0.87 SLC6A7 (0.40) CNR1CNR2
SCHEMBL4841441 0.87 CNR1 (0.34) CNR1CNR2
SCHEMBL4843762 0.81 CNR1 (0.33) CNR1CNR2HSD11B1
SCHEMBL4841250 0.79 CNR1 (0.34) CNR1CNR2HSD11B1
SCHEMBL4841245 0.79 CNR1 (0.34) CNR1CNR2HSD11B1
SCHEMBL4843297 0.79 HSD11B1 (0.34) CNR1CNR2HSD11B1
SCHEMBL4832935 0.79 CNR1 (0.36) CNR1CNR2HSD11B1
SCHEMBL4832940 0.78 CNR1 (0.36) CNR1CNR2HSD11B1

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 9 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 claimed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US claimed
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-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 PARP1 3506/4885HDAC1 2149/4885KCNK3 2833/4885

“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.