SCHEMBL3380859

SCHEMBL3380859

COCCn1c(C)c(C)s/c1=N\C(=O)c1cc(F)ccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.75
CLK2 P49760 1/20 0.75
CLK4 Q9HAZ1 1/20 0.75
CNR2 P34972 8/20 0.50
CNR1 P21554 6/20 0.50
NPSR1 Q6W5P4 3/20 0.45
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37
P2RX7 Q99572 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3380862 1.00 PIM1 (0.75) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3388124 0.92 PIM1 (0.66) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3388128 0.92 PIM1 (0.66) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3385365 0.89 PIM1 (0.78) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3386282 0.89 PIM1 (0.60) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3385370 0.89 PIM1 (0.78) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3386289 0.89 PIM1 (0.60) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3383432 0.86 PIM1 (0.56) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3383437 0.86 PIM1 (0.56) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3381200 0.86 PIM1 (1.00) PIM1CLK2CLK4CNR2CNR1

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 4 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
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 PIM1 3054/4885CLK2 2185/4885CLK4 2652/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 PIM1 3231/4885CLK2 2281/4885CLK4 2949/4885

“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.