SCHEMBL2078057

SCHEMBL2078057

CC1(C)C(C(=O)n2ccc3ccccc32)C1(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TFPI2 P48307 1/20 0.49
NPY4R P50391 1/20 0.49
MAPK1 P28482 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
KMT2A Q03164 1/20 0.40
SRD5A1 P18405 2/20 0.40
SRD5A2 P31213 2/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 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
SCHEMBL31435509 0.76 TFPI2 (0.58) NOTUMTSHRRAB9AL3MBTL1TFPI2
SCHEMBL7024843 0.76 TFPI2 (0.58) NOTUMTSHRRAB9AL3MBTL1TFPI2
SCHEMBL29506395 0.74 NOTUM (1.00) NOTUMTSHRRAB9AL3MBTL1TFPI2
SCHEMBL15702556 0.74 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1TFPI2
SCHEMBL41252 0.74 NOTUM (1.00) NOTUMTSHRRAB9AL3MBTL1TFPI2
SCHEMBL10477477 0.74 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1TFPI2
SCHEMBL1151123 0.74 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1TFPI2
SCHEMBL3834965 0.74 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1TFPI2
SCHEMBL29428949 0.74 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1TFPI2
Ammonia Solution, Strong SCHEMBL27633395 0.73 NOTUM (0.96) NOTUMTSHRRAB9AL3MBTL1TFPI2

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 NOTUM 1930/4885TSHR 1295/4885RAB9A 2488/4885
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 NOTUM 2326/4885TSHR 2484/4885RAB9A 4303/4885
US-20110065685-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS CNR2, CNR1, OPRL1 NOTUM 1930/4885TSHR 1295/4885RAB9A 2488/4885

“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.