SCHEMBL1620609

SCHEMBL1620609

CC(C)(NC(=O)C(=O)/C=C/c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
MAOB P27338 3/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD11B1 P28845 1/20 0.41
TRPA1 O75762 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL1619447 0.90 EGFR (0.55) EGFRMMP1MMP2MMP9PLAAT3
SCHEMBL1621425 0.81 PLAAT3 (0.54) EGFRMMP1MMP2MMP9PLAAT3
SCHEMBL1622156 0.81 PLAAT5 (0.50) EGFRMMP1MMP2MMP9PLAAT3
SCHEMBL12590249 0.81 PLAAT3 (0.47) EGFRMMP1MMP2MMP9PLAAT3
SCHEMBL6645828 0.74 PLAAT3 (0.57) EGFRMMP1MMP2MMP9PLAAT3
SCHEMBL3835902 0.72 PPARG (0.52) TDP1HDAC3HDAC1HDAC2HDAC6
SCHEMBL13626314 0.69 MEN1 (0.49) HSD11B1HDAC3HDAC1HDAC2HDAC6
SCHEMBL9634099 0.69 MAOB (0.75) EGFRMMP1MMP2MMP9TRPV1
SCHEMBL9634100 0.69 MAOB (0.75) EGFRMMP1MMP2MMP9TRPV1
SCHEMBL31528762 0.68 EGFR (0.71) EGFRMMP1MMP2MMP9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160459-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS, B.V. 2011-06-30 US disclosed
US-20110160459-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS, B.V. 2011-06-30 US disclosed
US-7928134-B2 5-aryl-4,5-dihydro-(1H)-pyrazolines as cannabinoid CB1 receptor agonists SOLVAY PHARMACEUTICALS B.V. (NL) 2011-04-19 US disclosed
US-7928134-B2 5-aryl-4,5-dihydro-(1H)-pyrazolines as cannabinoid CB1 receptor agonists SOLVAY PHARMACEUTICALS B.V. (NL) 2011-04-19 US disclosed
US-7928134-B2 5-aryl-4,5-dihydro-(1H)-pyrazolines as cannabinoid CB1 receptor agonists SOLVAY PHARMACEUTICALS B.V. (NL) 2011-04-19 US disclosed
WO-2009037244-A2 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2009-03-26 WO disclosed
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. 2009-03-26 US disclosed
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. 2009-03-26 US disclosed
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. 2009-03-26 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-20110160459-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS CNR1, CNR2, HTR5A EGFR 469/4885MMP1 4853/4885MMP2 4813/4885
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS CNR1, CNR2, HTR5A EGFR 469/4885MMP1 4853/4885MMP2 4813/4885

“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.