SCHEMBL10159564

SCHEMBL10159564

NC[C@@H](F)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.59
HTR2A P28223 3/20 0.59
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
HRH1 P35367 2/20 0.48
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 1/20 0.45
DPP4 P27487 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
F2 P00734 1/20 0.43
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL479328 1.00 TAAR1 (0.59) TAAR1HTR2ACHRNB2CHRNA4HRH1
Iodide SCHEMBL28728555 0.97 TAAR1 (0.56) TAAR1HTR2ACHRNB2CHRNA4HRH1
Hydrochloric Acid SCHEMBL4226728 0.97 TAAR1 (0.56) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL28587464 0.91 TAAR1 (0.50) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL5189954 0.80 HRH1 (0.62) TAAR1HTR2AHRH1SLC6A4SLC6A3
SCHEMBL22620835 0.80 HRH1 (0.62) TAAR1HTR2AHRH1SLC6A4SLC6A3
SCHEMBL4672668 0.80 HRH1 (0.62) TAAR1HTR2AHRH1SLC6A4SLC6A3
SCHEMBL6287110 0.80 TAAR1 (0.48) TAAR1HTR2ACHRNB2CHRNA4HRH1
Hydrochloric Acid SCHEMBL7970943 0.78 HRH1 (0.60) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL4126387 0.77 TAAR1 (0.44) TAAR1HTR2ACHRNB2CHRNA4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144299-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Cambria Pharmaceuticals, Inc. (US) 2017-03-22 EP disclosed
US-9499494-B2 Pyrimidine-2,4,6-triones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2016-11-22 US disclosed
US-9499494-B2 Pyrimidine-2,4,6-triones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2016-11-22 US disclosed
EP-2427438-B1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS INC (US) 2016-10-12 EP disclosed
US-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2015-07-23 US disclosed
US-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2015-07-23 US disclosed
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NORTHWESTERN UNIVERSITY (US) 2012-02-23 US disclosed
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NORTHWESTERN UNIVERSITY (US) 2012-02-23 US disclosed
WO-2010129665-A2 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2010-11-11 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 (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-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 TAAR1 3038/4885HTR2A 580/4885CHRNB2 1619/4885
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 TAAR1 3038/4885HTR2A 580/4885CHRNB2 1619/4885

“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.