SCHEMBL4425976

SCHEMBL4425976

CN(C)C(=O)CCc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
FFAR1 O14842 2/20 0.50
AOC3 Q16853 2/20 0.48
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
AOC2 O75106 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL7797805 0.82 FFAR1 (0.51) TAAR1FFAR1SLC5A1SLC5A2KMT2A
SCHEMBL16416582 0.82 ESR1 (0.50) TAAR1FFAR1SLC5A1SLC5A2HPGD
SCHEMBL4662624 0.82 TAAR1 (0.46) TAAR1FFAR1AOC3SLC5A1SLC5A2
SCHEMBL3139297 0.81 TAAR1 (0.52) TAAR1FFAR1KMT2APOLB
SCHEMBL11132861 0.81 RAB9A (0.51) FFAR1AOC3KMT2APOLBPLAAT3
SCHEMBL9242991 0.81 GFER (0.48) FFAR1KMT2AMAOAMAOB
SCHEMBL4435477 0.80 RIPK1 (0.43) FFAR1KMT2AMAOAMAOB
SCHEMBL28448148 0.80 FFAR1 (0.50) TAAR1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL14958586 0.80 MEN1 (0.47) TAAR1FFAR1AOC3SLC5A1SLC5A2
SCHEMBL14959151 0.80 TDP1 (0.62) TAAR1KMT2APOLBAPEX1TDP1

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
CN-119331033-A Catalyst CudppfBH4And its use in catalyzing the reduction of alpha, beta-unsaturated amides 安徽大学 2025-01-21 CN disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-8946302-B2 Selective sigma-1 receptor ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-8445473-B2 Heteroaryl-substituted bicyclic Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-05-21 US disclosed
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-8349898-B2 Sigma-1 receptor ligands and methods of use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-15 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 TAAR1 190/4885FFAR1 118/4885AOC3 3180/4885
US-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE SIGMAR1, OPRL1, OPRK1 TAAR1 12/4885FFAR1 38/4885AOC3 1617/4885
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 TAAR1 2134/4885FFAR1 4734/4885AOC3 1191/4885
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS SIGMAR1, OPRL1, OPRK1 TAAR1 15/4885FFAR1 54/4885AOC3 2023/4885

“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.