SCHEMBL3914898

SCHEMBL3914898

CCS(=O)(=O)Oc1nccn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTT P42858 3/20 0.38
LPO P22079 1/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FDPS P14324 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
RAB9A P51151 2/20 0.30

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
SCHEMBL15778947 0.84 TLR8 (0.37) CHRNB2CHRNA4HTTLPOKMT2A
SCHEMBL459536 0.81 CHRNB2 (0.40) CHRNB2CHRNA4HTTLPOKMT2A
SCHEMBL317712 0.75 CHRNB2 (0.36) CHRNB2CHRNA4LPOKMT2AMEN1
SCHEMBL2513335 0.74
Hydrochloric Acid SCHEMBL28178521 0.72 CHRNB2 (0.50) CHRNB2CHRNA4HTTLPOKMT2A
Hydrochloric Acid SCHEMBL28150747 0.72 CHRNB2 (0.50) CHRNB2CHRNA4HTTLPOKMT2A
SCHEMBL10739013 0.71 KMT2A (0.38) CHRNB2CHRNA4KMT2AMEN1KDM4E
SCHEMBL1889711 0.71 KDM4E (0.47) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL16107858 0.70 CHRNB2 (0.36) CHRNB2CHRNA4LPOKMT2A
SCHEMBL2722061 0.69 CHRNB2 (0.56) CHRNB2CHRNA4LPOKMT2AALDH1A1

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
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-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 CHRNB2 205/4885CHRNA4 318/4885HTT 4041/4885

“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.