SCHEMBL2736654

SCHEMBL2736654

CC(C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 6/20 0.50
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
DRD4 P21917 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL26763722 0.85 CNR1 (0.47) GRM7MTNR1AMTNR1BMMP1MMP2
SCHEMBL2736653 0.83 MTNR1A (0.47) GRM7MTNR1AMTNR1BHDAC3HDAC4
SCHEMBL2736650 0.83 MTNR1A (0.47) GRM7MTNR1AMTNR1BHDAC3HDAC4
SCHEMBL19200303 0.78 GRM7 (0.58) GRM7SOAT1
SCHEMBL20678753 0.78 GRM7 (0.58) GRM7SOAT1
SCHEMBL19183484 0.78 GRM7 (0.58) GRM7SOAT1
SCHEMBL20678752 0.78 GRM7 (0.58) GRM7SOAT1
Hydrochloric Acid SCHEMBL20678667 0.77 GRM7 (0.57) GRM7SOAT1
Hydrochloric Acid SCHEMBL20678670 0.77 GRM7 (0.57) GRM7SOAT1
Hydrochloric Acid SCHEMBL20678668 0.77 GRM7 (0.57) GRM7SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 GRM7 530/4885MTNR1A 43/4885MTNR1B 14/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R GRM7 492/4885MTNR1A 461/4885MTNR1B 543/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 GRM7 418/4885MTNR1A 51/4885MTNR1B 37/4885

“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.