SCHEMBL3384572

SCHEMBL3384572

COCCn1cc(C)sc1=NC(=O)c1cc(Cl)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.43
PIM1 P11309 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CNR1 P21554 3/20 0.39
P2RX7 Q99572 4/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IL1B P01584 2/20 0.36
THRB P10828 1/20 0.36
TMPRSS4 Q9NRS4 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
SCHEMBL3384567 1.00 CNR2 (0.43) CNR2PIM1CLK2CLK4CNR1
SCHEMBL3386066 0.88 CNR2 (0.44) CNR2PIM1CLK2CLK4CNR1
SCHEMBL3386060 0.88 CNR2 (0.44) CNR2PIM1CLK2CLK4CNR1
SCHEMBL3386343 0.87 PIM1 (0.52) CNR2PIM1CLK2CLK4CNR1
SCHEMBL3386345 0.87 PIM1 (0.52) CNR2PIM1CLK2CLK4CNR1
SCHEMBL3384555 0.85 CNR2 (0.48) CNR2PIM1CLK2CLK4KDM4E
SCHEMBL3384559 0.85 CNR2 (0.48) CNR2PIM1CLK2CLK4KDM4E
SCHEMBL3384525 0.82 PIM1 (0.60) CNR2PIM1CLK2CLK4CNR1
SCHEMBL3384521 0.82 PIM1 (0.60) CNR2PIM1CLK2CLK4CNR1
SCHEMBL3384652 0.82 CNR2 (0.49) CNR2PIM1CLK2CLK4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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 (2 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885PIM1 3054/4885CLK2 2185/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885PIM1 3231/4885CLK2 2281/4885

“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.