SCHEMBL2736650

SCHEMBL2736650

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.47
MTNR1B P49286 7/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRM7 Q14831 4/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL2736653 1.00 MTNR1A (0.47) MTNR1AMTNR1BSMN1; SMN2NPSR1GRM7
SCHEMBL23772365 0.84 MTNR1A (0.53) MTNR1AMTNR1BSMN1; SMN2NPSR1GRM7
SCHEMBL24011024 0.83 CNR1 (0.50) MTNR1AMTNR1BSMN1; SMN2NPSR1GRM7
SCHEMBL2736654 0.83 GRM7 (0.50) MTNR1AMTNR1BGRM7HDAC3HDAC4
SCHEMBL19797799 0.82 MTNR1A (0.46) MTNR1AMTNR1BSMN1; SMN2NPSR1GRM7
SCHEMBL2467842 0.82 MTNR1A (0.46) MTNR1AMTNR1BSMN1; SMN2NPSR1GRM7
SCHEMBL9093549 0.77 CHRNB2 (0.45) MTNR1ANPSR1MEN1CYP1A2CYP2C19
SCHEMBL2466133 0.77 TAS1R3 (0.48) MTNR1AMTNR1BSMN1; SMN2NPSR1MEN1
SCHEMBL7445852 0.77 TAS1R3 (0.48) MTNR1AMTNR1BSMN1; SMN2NPSR1MEN1
SCHEMBL2464636 0.77 TAS1R3 (0.48) MTNR1AMTNR1BSMN1; SMN2NPSR1MEN1

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-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
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 MTNR1A 43/4885MTNR1B 14/4885SMN1; SMN2 4206/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R MTNR1A 461/4885MTNR1B 543/4885SMN1; SMN2 4652/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 MTNR1A 51/4885MTNR1B 37/4885SMN1; SMN2 3366/4885

“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.