SCHEMBL2736711

SCHEMBL2736711

C[C@H](CCl)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
AOC3 Q16853 2/20 0.52
TRPA1 O75762 4/20 0.50
RIPK1 Q13546 1/20 0.50
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL6583604 1.00 TAAR1 (0.58) TAAR1AOC3TRPA1RIPK1TSHR
SCHEMBL30750937 0.97 TAAR1 (0.56) TAAR1AOC3TRPA1RIPK1TSHR
SCHEMBL28751353 0.89 TAAR1 (0.48) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL11758612 0.86 GRIA4 (0.50) TAAR1AOC3
SCHEMBL536253 0.86 ESR1 (0.41) TAAR1AOC3TRPA1RIPK1TSHR
Tromethamine SCHEMBL11022757 0.82 TAAR1 (0.47) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL5471184 0.82 HDAC4 (0.41) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL10598514 0.81 TRPA1 (0.64) TAAR1AOC3TRPA1RIPK1TSHR
SCHEMBL2243710 0.80 RIPK1 (0.57) TAAR1AOC3TRPA1RIPK1
SCHEMBL3672929 0.78 TRPA1 (0.67) TAAR1AOC3TRPA1RIPK1KDM4E

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 13 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-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 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 TAAR1 569/4885AOC3 880/4885TRPA1 326/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R TAAR1 174/4885AOC3 1424/4885TRPA1 919/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 TAAR1 203/4885AOC3 3019/4885TRPA1 24/4885

“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.