SCHEMBL16121000

SCHEMBL16121000

Cn1c(=O)c2c(ncn2CCCCCCCn2cnc3c2c(=O)n(C)c(=O)n3C)n(C)c1=O

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 11/20 0.85
▸ RXFP1 Q9HBX9 2/20 0.76
▸ MAPK1 P28482 1/20 0.76
▸ LMNA P02545 2/20 0.74
▸ MAPT P10636 1/20 0.74
▸ TSHR P16473 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ HTR7 P34969 1/20 0.64
▸ HTR6 P50406 1/20 0.64
▸ ADORA2A P29274 1/20 0.62

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 1.00 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120989 1.00 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120999 1.00 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120983 1.00 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL19969384 1.00 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120975 0.98 ADORA2B (0.88) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL10394216 0.95 ADORA2B (0.78) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL11699832 0.95 ADORA2B (0.78) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL11702145 0.95 ADORA2B (0.78) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL11701929 0.95 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226467-B2 Compounds for the treatment of myotonic dystrophy UNIVERSITAT DE VALENCIA (ES) 2019-03-12 — — US 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-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SELABTEC SCIENCES, SL (ES) 2017-11-02 — — US disclosed
US-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SELABTEC SCIENCES, SL (ES) 2017-11-02 — — US disclosed
US-20170304309-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2017-10-26 — — US disclosed
US-20170304309-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2017-10-26 — — 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
WO-2016075285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY UNIVERSITAT DE VALÈNCIA (ES) 2016-05-19 — — WO disclosed
WO-2016075288-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 UNIVERSITAT DE VALÈNCIA (ES) 2016-05-19 — — WO disclosed
EP-3020403-A1 Compounds for the treatment of myotonic dystrophy Universitat de Valéncia (ES) 2016-05-18 — — EP disclosed
EP-3020404-A1 Caffeine for the treatment of myotonic dystrophy type 1 and type 2 Universitat de Valéncia (ES) 2016-05-18 — — EP 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 (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-20170304309-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 SMN1; SMN2, TDP2, MTPN ADORA2B 972/4885RXFP1 1677/4885MAPK1 569/4885
US-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SMN1; SMN2, CPT1B, MTPN ADORA2B 1199/4885RXFP1 2764/4885MAPK1 1363/4885
US-10226467-B2 Compounds for the treatment of myotonic dystrophy SMN1; SMN2, CPT1B, MTPN ADORA2B 1199/4885RXFP1 2764/4885MAPK1 1363/4885

“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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