SCHEMBL19499802

SCHEMBL19499802

C=C1N(C)C(=O)c2c(ncn2CCOCCOCCn2cnc3c2c(=O)n(C)c(=O)n3C)N1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.61
▸ ADORA2B P29275 10/20 0.52
▸ RXFP1 Q9HBX9 3/20 0.52
▸ MAPT P10636 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ADORA2A P29274 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL19499799 0.96 ADORA1 (0.62) ADORA1ADORA2BRXFP1MAPTLMNA
SCHEMBL19499803 0.89 ADORA2B (0.60) ADORA1ADORA2BRXFP1MAPTLMNA
SCHEMBL17486884 0.89 ADORA2B (0.58) ADORA1ADORA2BRXFP1MAPTLMNA
SCHEMBL19499801 0.89 ADORA2B (0.60) ADORA1ADORA2BRXFP1MAPTLMNA
SCHEMBL17486881 0.89 ADORA2B (0.60) ADORA1ADORA2BRXFP1MAPTLMNA
SCHEMBL17486888 0.83 ADORA2B (0.51) ADORA2BRXFP1MAPTLMNAALDH1A1
SCHEMBL19677779 0.83 ADORA2B (0.49) ADORA2BRXFP1MAPTLMNAALDH1A1
SCHEMBL17744966 0.83 ADORA1 (0.75) ADORA1ADORA2BRXFP1MAPTLMNA
SCHEMBL19499800 0.82 LMNA (0.63) ADORA2BRXFP1MAPTLMNAALDH1A1
SCHEMBL19542267 0.80 ADORA1 (0.55) ADORA1ADORA2BRXFP1MAPTLMNA

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-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

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-20170304309-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 SMN1; SMN2, TDP2, MTPN ADORA1 210/4885ADORA2B 972/4885RXFP1 1677/4885
US-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SMN1; SMN2, CPT1B, MTPN ADORA1 790/4885ADORA2B 1199/4885RXFP1 2764/4885

“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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