SCHEMBL4833651

SCHEMBL4833651

Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 3/20 0.40
SMO Q99835 4/20 0.38
AXL P30530 1/20 0.34
GAA P10253 1/20 0.34
KLK7 P49862 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KLK14 Q9P0G3 1/20 0.34
KLK5 Q9Y337 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
NPC1 O15118 1/20 0.33
BRAF P15056 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
GHSR Q92847 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TP53 P04637 1/20 0.32

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 0.92 BRAF (0.39) SLC6A7NPC1BRAFCNR1CNR2
SCHEMBL4841441 0.89 CNR1 (0.34) SLC6A7NPC1BRAFCNR1CNR2
SCHEMBL4838469 0.87 PARP1 (0.40) CNR1CNR2
SCHEMBL4843762 0.83 CNR1 (0.33) CNR1CNR2TP53
SCHEMBL4841245 0.82 CNR1 (0.34) RAB9AKMT2ANPSR1CNR1CNR2
SCHEMBL4841250 0.82 CNR1 (0.34) RAB9AKMT2ANPSR1CNR1CNR2
SCHEMBL4832935 0.81 CNR1 (0.36) CNR1CNR2
SCHEMBL4843297 0.81 HSD11B1 (0.34) KMT2ANPSR1CNR1CNR2
SCHEMBL4833373 0.81 CHRNB2 (0.36) BRAFCNR1CNR2
SCHEMBL4842409 0.81 CHRNB2 (0.36) BRAFCNR1CNR2

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 6 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
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

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 SLC6A7 2960/4885SMO 864/4885AXL 1741/4885

“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.