SCHEMBL2736630

SCHEMBL2736630

C[C@H](CNC(=O)c1cccnc1)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
NPC1 O15118 4/20 0.61
MEN1 O00255 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
RAB9A P51151 2/20 0.61
EPHX2 P34913 3/20 0.59
LMNA P02545 2/20 0.58
ECE1 P42892 1/20 0.58
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
THRB P10828 1/20 0.55
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
CTRC Q99895 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.50
HCRTR2 O43614 1/20 0.49

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
SCHEMBL2736629 0.86 KMT2A (0.56) KMT2ANPC1MEN1SMN1; SMN2RAB9A
SCHEMBL5553293 0.83 KMT2A (0.66) KMT2ANPC1MEN1SMN1; SMN2RAB9A
SCHEMBL10896470 0.82 KMT2A (0.64) KMT2ANPC1MEN1SMN1; SMN2RAB9A
SCHEMBL3819701 0.82 KMT2A (0.71) KMT2ANPC1MEN1SMN1; SMN2RAB9A
SCHEMBL3078645 0.81 LMNA (0.76) KMT2ANPC1MEN1SMN1; SMN2RAB9A
SCHEMBL4418666 0.81 KMT2A (0.66) KMT2ANPC1MEN1SMN1; SMN2RAB9A
SCHEMBL8722504 0.80 KMT2A (0.69) KMT2ANPC1MEN1SMN1; SMN2RAB9A
SCHEMBL28115750 0.80 KMT2A (0.69) KMT2ANPC1MEN1SMN1; SMN2RAB9A
SCHEMBL3963197 0.79 KMT2A (0.68) KMT2ANPC1MEN1SMN1; SMN2RAB9A
SCHEMBL10894686 0.79 KMT2A (0.68) KMT2ANPC1MEN1SMN1; SMN2RAB9A

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 12 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-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1357111-B1 2-PYRIDONE DERIVATIVES HAVING AFFINITY FOR CANNABINOID TYPE 2 RECEPTOR SHIONOGI & CO (JP) 2009-08-05 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 KMT2A 2110/4885NPC1 3215/4885MEN1 4737/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R KMT2A 2963/4885NPC1 4500/4885MEN1 3159/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 KMT2A 2819/4885NPC1 2141/4885MEN1 4507/4885

“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.