SCHEMBL15315375

SCHEMBL15315375

CC(C)(C)CC(=O)N[C@@H](Cc1ccc(-c2cnc(NCc3ccc4ccccc4c3)cn2)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 10/20 0.68
PIN1 Q13526 2/20 0.47
MME P08473 5/20 0.46
ACE P12821 5/20 0.46
ACE2 Q9BYF1 4/20 0.46
CPA1 P15085 3/20 0.46
ITGB3 P05106 2/20 0.42
ITGB1 P05556 2/20 0.42
ITGAV P06756 2/20 0.42
ITGA2B P08514 2/20 0.42
ITGA5 P08648 2/20 0.42

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
SCHEMBL308330 0.88 TPH1 (0.66) TPH1PIN1MMEACEACE2
SCHEMBL308331 0.88 TPH1 (0.66) TPH1PIN1MMEACEACE2
SCHEMBL308166 0.81 TPH1 (1.00) TPH1
SCHEMBL308167 0.81 TPH1 (1.00) TPH1
SCHEMBL20274814 0.78 TPH1 (0.61) TPH1
SCHEMBL23921461 0.73 ACE (0.58) MMEACEACE2CPA1
SCHEMBL21777483 0.73 ACE (0.58) MMEACEACE2CPA1
SCHEMBL308641 0.72 TPH1 (1.00) TPH1
SCHEMBL308642 0.72 TPH1 (1.00) TPH1
SCHEMBL308329 0.69 PTPN1 (0.48) TPH1PIN1MMEACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 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 (1 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-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS TPH1 1/4885PIN1 2004/4885MME 606/4885

“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.