SCHEMBL12260299

SCHEMBL12260299

CN(C)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 6/20 0.76
▸ MAPT P10636 1/20 0.73
▸ HTT P42858 1/20 0.73
▸ GAA P10253 1/20 0.68
▸ THRB P10828 1/20 0.65
▸ TRPA1 O75762 2/20 0.63
▸ CYP1A2 P05177 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ TP53 P04637 4/20 0.62
▸ ALOX15 P16050 1/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ POLB P06746 1/20 0.58

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
SCHEMBL12260511 0.93 RXFP1 (0.75) RXFP1MAPTHTTGAATHRB
SCHEMBL12310429 0.91 RXFP1 (0.72) RXFP1MAPTHTTGAATHRB
SCHEMBL17997357 0.88 RXFP1 (0.68) RXFP1MAPTHTTGAATHRB
SCHEMBL10113827 0.88 TRPA1 (0.74) RXFP1MAPTHTTTHRBTRPA1
SCHEMBL10114655 0.87 RXFP1 (0.81) RXFP1MAPTHTTGAATHRB
SCHEMBL14754391 0.86 THRB (0.80) RXFP1MAPTHTTGAATHRB
SCHEMBL10114196 0.86 RXFP1 (0.79) RXFP1MAPTHTTGAATHRB
SCHEMBL10114557 0.86 RXFP1 (1.00) RXFP1MAPTHTTGAATHRB
SCHEMBL4533692 0.85 RXFP1 (0.78) RXFP1MAPTHTTGAATHRB
SCHEMBL10114140 0.84 RXFP1 (0.76) RXFP1MAPTHTTGAATHRB

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-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

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 RXFP1 941/4885MAPT 278/4885HTT 29/4885
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES NLN, NGF, BDNF RXFP1 941/4885MAPT 278/4885HTT 29/4885
US-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES ADH1A, NTRK2, ADH1C RXFP1 1348/4885MAPT 540/4885HTT 1494/4885
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF BDNF, NTRK2, NGF RXFP1 423/4885MAPT 846/4885HTT 560/4885

“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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