SCHEMBL12260494

SCHEMBL12260494

CCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.76
▸ ADORA2B P29275 3/20 0.69
▸ RXFP1 Q9HBX9 4/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ TSHR P16473 1/20 0.62
▸ MAPT P10636 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ TP53 P04637 1/20 0.60

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
SCHEMBL17626126 0.88 ADORA2B (0.65) SMN1; SMN2ADORA2BRXFP1MAPTLMNA
SCHEMBL10850696 0.88 SMN1; SMN2 (0.82) SMN1; SMN2ADORA2BRXFP1NPSR1MAPT
SCHEMBL9765651 0.88 PDE4A (0.74) SMN1; SMN2ADORA2B
SCHEMBL10178008 0.88 TNF (0.64) SMN1; SMN2ADORA2BRXFP1NPSR1MAPT
SCHEMBL15396540 0.88 SMN1; SMN2 (0.70) SMN1; SMN2ADORA2BRXFP1NPSR1MAPT
SCHEMBL10178027 0.86 SMN1; SMN2 (1.00) SMN1; SMN2ADORA2BRXFP1NPSR1MAPT
SCHEMBL11321532 0.86 TNF (0.66) SMN1; SMN2ADORA2BRXFP1TSHRMAPT
SCHEMBL10178241 0.86 PDE4A (0.61) SMN1; SMN2ADORA2BRXFP1NPSR1
SCHEMBL25293608 0.85 SMN1; SMN2 (0.70) SMN1; SMN2ADORA2BRXFP1NPSR1MAPT
SCHEMBL17635429 0.85 SMN1; SMN2 (0.62) SMN1; SMN2ADORA2BRXFP1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-01 — — US disclosed
WO-2018039641-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES PHARMATROPHIX, INC. (US) 2018-03-01 — — WO disclosed
US-9464066-B2 Deuterated compounds useful for treating neurodegenerative diseases PHARMATROPHIX, INC. (US) 2016-10-11 — — US disclosed
US-9464066-B2 Deuterated compounds useful for treating neurodegenerative diseases PHARMATROPHIX, INC. (US) 2016-10-11 — — US disclosed
US-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES Ricerca Biosciences, LLC 2016-08-11 — — US disclosed
US-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES Ricerca Biosciences, LLC 2016-08-11 — — US disclosed
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES PHARMATROPHIX, INC. (US) 2012-12-20 — — US disclosed
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES PHARMATROPHIX, INC. (US) 2012-12-20 — — US disclosed
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 — — US disclosed
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 — — US disclosed
WO-2011066544-A2 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES PHARMATROPHIX, INC. (US) 2011-06-03 — — WO disclosed
WO-2010102212-A2 NEUROTROPHIN MIMETICS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-09-10 — — 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 (4 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-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES NLN, NGF, BDNF SMN1; SMN2 10/4885ADORA2B 2862/4885RXFP1 941/4885
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES NLN, NGF, BDNF SMN1; SMN2 10/4885ADORA2B 2862/4885RXFP1 941/4885
US-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES ADH1A, NTRK2, ADH1C SMN1; SMN2 1441/4885ADORA2B 560/4885RXFP1 1348/4885
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF BDNF, NTRK2, NGF SMN1; SMN2 24/4885ADORA2B 2126/4885RXFP1 423/4885

“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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