SCHEMBL2736669

SCHEMBL2736669

C[C@@H](CCl)[C@@H](OC=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KMT2A Q03164 3/20 0.34
TAAR1 Q96RJ0 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
TRPA1 O75762 1/20 0.32
GLS O94925 1/20 0.32

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
SCHEMBL2736667 1.00 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL28101855 0.84 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL26558297 0.80 KMT2A (0.39) KMT2ATAAR1THRBMEN1HCAR2
SCHEMBL27724060 0.79 POLB (0.42) ALDH1A1POLB
SCHEMBL27702947 0.78 ALDH1A1 (0.39) KMT2AALDH1A1LMNAMEN1POLB
SCHEMBL17294114 0.77 ADRA2A (0.44) KMT2ATAAR1ALDH1A1LMNATHRB
SCHEMBL6686071 0.77 ADRA2A (0.44) KMT2ATAAR1ALDH1A1LMNATHRB
SCHEMBL28172933 0.76 ALDH1A1 (0.41) KMT2AALDH1A1MEN1POLB
SCHEMBL27825234 0.76 ALDH1A1 (0.41) KMT2AALDH1A1MEN1POLB
SCHEMBL28266022 0.76 ALDH1A1 (0.41) KMT2AALDH1A1MEN1POLB

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
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 CHRM2 16/4885CHRM4 67/4885CHRM1 17/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R CHRM2 70/4885CHRM4 179/4885CHRM1 65/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CHRM2 521/4885CHRM4 561/4885CHRM1 539/4885

“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.