SCHEMBL16120975

SCHEMBL16120975

Cn1c(=O)c2c(ncn2CCCCn2cnc3c2c(=O)n(C)c(=O)n3C)n(C)c1=O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.88
RXFP1 Q9HBX9 2/20 0.78
MAPK1 P28482 1/20 0.78
LMNA P02545 2/20 0.77
MAPT P10636 1/20 0.77
TSHR P16473 1/20 0.72
ALDH1A1 P00352 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
ADORA2A P29274 2/20 0.64
PIK3CD O00329 1/20 0.64
POLB P06746 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CNR1 P21554 1/20 0.64
ACHE P22303 1/20 0.64
ADORA1 P30542 1/20 0.64
NTSR1 P30989 1/20 0.64
MC3R P41968 1/20 0.64
NOTUM Q6P988 1/20 0.64
SIRT3 Q9NTG7 1/20 0.64
GDA Q9Y2T3 1/20 0.64

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
SCHEMBL16120982 0.98 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL19969384 0.98 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120999 0.98 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120983 0.98 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120989 0.98 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16121000 0.98 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120979 0.97 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL31482443 0.95 ADORA2B (0.81) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL10394216 0.94 ADORA2B (0.78) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL11701929 0.94 ADORA2B (0.78) ADORA2BRXFP1MAPK1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634434-B2 Bifunctional alpha-synuclein binding agents and uses thereof UNIVERSITY OF SASKATCHEWAN (CA) 2023-04-25 US disclosed
US-20200062782-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2020-02-27 US disclosed
WO-2018045464-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2018-03-15 WO disclosed
US-20170349317-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA COMPANY 2017-12-07 US disclosed
US-20170349317-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA COMPANY 2017-12-07 US disclosed
US-9764872-B2 Gas barrier enhancing additives and methods THE COCA-COLA COMPANY (US) 2017-09-19 US disclosed
US-9764872-B2 Gas barrier enhancing additives and methods THE COCA-COLA COMPANY (US) 2017-09-19 US disclosed
US-20160031583-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS CSPC INNOVATION PHARMACEUTICAL CO., LTD. (CN) 2016-02-04 US disclosed
US-20160031583-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS CSPC INNOVATION PHARMACEUTICAL CO., LTD. (CN) 2016-02-04 US disclosed
WO-2014152788-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA-COMPANY (US) 2014-09-25 WO 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 (2 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-20200062782-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF SNCA, PARK7, SYNJ2 ADORA2B 2511/4885RXFP1 3994/4885MAPK1 4308/4885
US-11634434-B2 Bifunctional alpha-synuclein binding agents and uses thereof SNCA, PARK7, SYNJ2 ADORA2B 2511/4885RXFP1 3994/4885MAPK1 4308/4885

“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.