SCHEMBL5659685

SCHEMBL5659685

[c]1cn(CCN2CCOCC2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.43
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
KDM1A O60341 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
HTR7 P34969 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL17956232 0.93 POLB (0.48) POLBSIGMAR1LMNACNR2ALDH1A1
SCHEMBL17956214 0.87 HRH1 (0.43) SIGMAR1CNR1CNR2ALDH1A1KDM4E
SCHEMBL17956246 0.86 HRH1 (0.45) SIGMAR1CNR1CNR2ALDH1A1KDM4E
SCHEMBL17956252 0.83 SIGMAR1 (0.43) SIGMAR1LMNACNR2ALDH1A1KDM1A
SCHEMBL6015718 0.80 MAPK1 (0.55) POLBLMNAALDH1A1KDM4EHSD17B10
SCHEMBL17956192 0.80 CNR2 (0.46) SIGMAR1LMNACNR1CNR2KDM4E
SCHEMBL17956217 0.80 CNR2 (0.46) SIGMAR1LMNACNR1CNR2KDM4E
SCHEMBL1451322 0.79 POLB (0.39) POLBSIGMAR1LMNACNR1CNR2
SCHEMBL5514587 0.78 CNR2 (0.46) LMNACNR1CNR2KDM1ATSHR
SCHEMBL6015747 0.77 CNR2 (0.43) POLBSIGMAR1CNR1CNR2KDM4E

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 2 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-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 (1 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-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 POLB 3796/4885SIGMAR1 158/4885LMNA 3694/4885

“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.