SCHEMBL2736635

SCHEMBL2736635

[C-]#[N+]C[C@@H](C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
AOC3 Q16853 2/20 0.47
TRPA1 O75762 4/20 0.45
RIPK1 Q13546 1/20 0.45
DAO P14920 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL29957168 1.00 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1DAO
SCHEMBL5847868 0.78 HTR2A (0.46) TAAR1
SCHEMBL29952194 0.73 LMNA (0.52) AOC3RIPK1KDM4EL3MBTL1
SCHEMBL3672929 0.72 TRPA1 (0.67) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL6280516 0.72 RIPK1 (0.67) TAAR1AOC3TRPA1RIPK1
SCHEMBL136376 0.70 TAAR1 (0.61) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL2406731 0.70 TAAR1 (0.42) TAAR1KDM4EALDH1A1
SCHEMBL377591 0.70 TAAR1 (0.42) TAAR1KDM4EALDH1A1
SCHEMBL17453236 0.70 TAAR1 (0.61) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL4443642 0.70 TAAR1 (0.61) TAAR1AOC3TRPA1RIPK1ALDH1A1

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 5 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-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-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.