SCHEMBL5344199

SCHEMBL5344199

CC(C)N1Cc2c(nn(-c3ccc(Cl)cc3)c2-c2ccccc2Cl)C1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.53
CNR2 P34972 5/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
TACR2 P21452 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 1/20 0.36
IDH1 O75874 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
SCHEMBL5345696 0.86 CNR1 (0.61) CNR1CNR2MEN1KMT2AIDH1
SCHEMBL5344766 0.82 CNR1 (0.44) CNR1CNR2IDO1TDO2CYP1A2
SCHEMBL5339080 0.80 CNR1 (0.80) CNR1CNR2
SCHEMBL5336173 0.78 CNR1 (0.57) CNR1CNR2
SCHEMBL5340635 0.78 CNR1 (0.55) CNR1CNR2IDO1TDO2CYP1A2
SCHEMBL5344761 0.78 CNR1 (0.56) CNR1CNR2IDO1TDO2
SCHEMBL5343064 0.74 CNR1 (0.42) CNR1CNR2IDO1TDO2CYP1A2
SCHEMBL5335401 0.73 CNR1 (0.64) CNR1CNR2
SCHEMBL4713881 0.73 CNR1 (0.43) CNR1CNR2
SCHEMBL5340372 0.72 CNR1 (0.57) CNR1CNR2TACR2

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 2/4885CNR2 1/4885IDO1 3034/4885
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof CNR2, CNR1, GPR18 CNR1 2/4885CNR2 1/4885IDO1 3034/4885
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885IDO1 2804/4885

“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.