SCHEMBL2079006

SCHEMBL2079006

CC1(C)C(C(=O)c2c[nH]c3cc(S(C)(=O)=O)ccc23)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ TDO2 P48775 1/20 0.41
▸ PTGS2 P35354 5/20 0.39
▸ PTGS1 P23219 3/20 0.39
▸ NR4A2 P43354 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ SPR P35270 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TUBB1 Q9H4B7 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PBRM1 Q86U86 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNK O75909 1/20 0.35

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
SCHEMBL2920694 0.83 LMNA (0.53) TDO2PTGS2PTGS1NR4A2MAPT
SCHEMBL2077397 0.80 NR4A2 (0.60) CNR1CNR2NR4A2HTR3EHTR3B
SCHEMBL3632702 0.80 ALDH1A1 (0.53) TDO2PTGS2PTGS1NR4A2SPR
SCHEMBL2078774 0.79 NR4A2 (0.61) CNR1CNR2NR4A2MAPT
SCHEMBL2075477 0.79 NR4A2 (0.47) CNR1CNR2NR4A2HTR3EHTR3B
SCHEMBL1558375 0.79 TDO2 (0.44) TDO2PTGS2PTGS1NR4A2SPR
SCHEMBL2078031 0.76 MEN1 (0.58) CNR1CNR2NR4A2MAPTCDK2
SCHEMBL2078462 0.76 IDO1 (0.46) CNR1CNR2NR4A2HTR3EHTR3B
SCHEMBL2079145 0.75 PBRM1 (0.62) CNR2NR4A2HTR3EHTR3BHTR3A
SCHEMBL2079130 0.75 NPC1 (0.57) CNR1CNR2NR4A2TUBB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833824-B1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2016-08-03 — — EP disclosed
US-20110065685-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-03-17 — — US disclosed
US-7750039-B2 Indoles are cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2010-07-06 — — US disclosed
US-7560481-B2 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants ABBOTT LABORATORIES (US) 2009-07-14 — — US disclosed
US-20090149501-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-06-11 — — US disclosed
US-20070037801-A1 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants ABBVIE INC. 2007-02-15 — — 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-20090149501-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS CNR2, CNR1, OPRL1 CNR1 2/4885CNR2 1/4885TDO2 484/4885
US-20070037801-A1 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants CNR2, CNR1, TRPV1 CNR1 2/4885CNR2 1/4885TDO2 547/4885
US-20110065685-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS CNR2, CNR1, OPRL1 CNR1 2/4885CNR2 1/4885TDO2 484/4885

“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.

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