SCHEMBL308217

SCHEMBL308217

CC(Nc1cc(-c2ccc(C(N)CC(=O)O)cc2)nc(N)n1)c1ccc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 15/20 0.73
HRH4 Q9H3N8 3/20 0.44
PFKFB3 Q16875 1/20 0.43
NUDT1 P36639 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
SCHEMBL307738 0.85 TPH1 (1.00) TPH1
SCHEMBL307739 0.85 TPH1 (1.00) TPH1
SCHEMBL308216 0.85 TPH1 (1.00) TPH1
SCHEMBL21690086 0.73 KMT2A (0.55) TPH1
SCHEMBL5720949 0.73 KMT2A (0.55) TPH1
SCHEMBL5720938 0.73 KMT2A (0.55) TPH1
SCHEMBL31165823 0.73 KMT2A (0.55) TPH1
SCHEMBL871149 0.72 TPH1 (0.77) TPH1
SCHEMBL871148 0.72 TPH1 (0.77) TPH1
SCHEMBL27726662 0.72 TPH1 (0.77) TPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093291-B2 Methods of using and compositions comprising tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-7723345-B2 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2009-01-01 US disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 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-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 TPH1 3/4885HRH4 505/4885PFKFB3 2135/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB TPH1 1/4885HRH4 272/4885PFKFB3 2629/4885

“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.