SCHEMBL5344766

SCHEMBL5344766

O=C1c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2CN1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.44
CYP3A4 P08684 2/20 0.42
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
CYP1A2 P05177 1/20 0.42
HIF1A Q16665 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
UGCG Q16739 3/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5341653 0.89 CYP1A2 (0.41) CYP3A4DPP4DPP8DPP9CYP1A2
SCHEMBL5344199 0.82 CNR1 (0.53) CNR1CYP1A2HIF1AIDO1TDO2
SCHEMBL5343893 0.81 CNR1 (0.60) CNR1CNR2
SCHEMBL5340635 0.80 CNR1 (0.55) CNR1CYP1A2HIF1AIDO1TDO2
SCHEMBL5344761 0.79 CNR1 (0.56) CNR1IDO1TDO2CNR2
SCHEMBL5343064 0.75 CNR1 (0.42) CNR1CYP1A2HIF1AIDO1TDO2
SCHEMBL5339193 0.72 CNR1 (0.46) CNR1CYP3A4DPP4DPP8DPP9
SCHEMBL5343755 0.70 CNR1 (0.48) CNR1CYP1A2HIF1AIDO1TDO2
SCHEMBL5341646 0.69 CNR1 (0.48) CNR1IDO1TDO2
SCHEMBL5345696 0.67 CNR1 (0.61) CNR1CNR2MEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230024-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2007-06-12 US claimed
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2006-09-14 US claimed
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 US claimed
US-7241788-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-07-10 US disclosed
US-7230024-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2007-06-12 US disclosed
US-7145012-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2006-12-05 US disclosed
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2006-09-14 US disclosed
US-20060205720-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2006-09-14 US disclosed
EP-1622909-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
WO-2004094429-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-04 WO disclosed
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 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 (3 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-20060205720-A1 Cannabinoid receptor ligands and uses thereof CNR2, CNR1, GPR18 CNR1 2/4885CYP3A4 2187/4885DPP4 3831/4885
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof CNR2, CNR1, GPR18 CNR1 2/4885CYP3A4 2187/4885DPP4 3831/4885
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CNR1 1/4885CYP3A4 2113/4885DPP4 3781/4885

“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.