SCHEMBL2078031

SCHEMBL2078031

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ KIF11 P52732 3/20 0.41
▸ MAPT P10636 1/20 0.40
▸ IGF1R P08069 1/20 0.39
▸ MET P08581 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ HAT1 O14929 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL29644277 0.81 ALDH1A1 (0.83) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL10253551 0.81 ALDH1A1 (0.83) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL2077397 0.80 NR4A2 (0.60) ALDH1A1CNR1CNR2HSD17B10MAPT
SCHEMBL2078774 0.79 NR4A2 (0.61) ALDH1A1CNR1CNR2MAPTNR4A2
SCHEMBL2075477 0.79 NR4A2 (0.47) CNR1CNR2NR4A2IDO1
SCHEMBL3629228 0.79 ALDH1A1 (0.65) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL2133676 0.79 MEN1 (0.65) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL29644278 0.79 MEN1 (0.65) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL3174159 0.78 ALDH1A1 (0.60) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL9936837 0.78 NR4A2 (0.65) MEN1ALDH1A1CYP1A2HPGDALOX12

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 MEN1 4687/4885ALDH1A1 1568/4885CYP1A2 609/4885
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 MEN1 4288/4885ALDH1A1 1901/4885CYP1A2 1087/4885
US-20110065685-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS CNR2, CNR1, OPRL1 MEN1 4687/4885ALDH1A1 1568/4885CYP1A2 609/4885

“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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