SCHEMBL31369944

SCHEMBL31369944

COc1ccnc(-c2ccc(C[C@H](N)C(=O)O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 15/20 0.54
TPH2 Q8IWU9 2/20 0.48
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
SLC7A5 Q01650 2/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL31369605 0.81 TPH1 (0.58) TPH1SLC7A5ITGB3ITGA2B
SCHEMBL6168594 0.80 TPH1 (0.68) TPH1SLC7A5ITGB3ITGA2B
SCHEMBL8009944 0.79 NOS3 (0.49) TPH1CCR1CCR5CCR8SLC7A5
SCHEMBL31369930 0.79 SLC13A5 (0.54) TPH1TPH2SLC7A5
SCHEMBL7345126 0.78 TPH1 (0.63) TPH1TPH2SLC7A5
SCHEMBL7345132 0.78 TPH1 (0.63) TPH1TPH2SLC7A5
SCHEMBL597743 0.78 LDHA (0.71) TPH1SLC7A5ITGB3ITGA2B
SCHEMBL158667 0.78 LDHA (0.71) TPH1SLC7A5ITGB3ITGA2B
SCHEMBL126195 0.78 LDHA (0.71) TPH1SLC7A5ITGB3ITGA2B
Hydrochloric Acid SCHEMBL16816865 0.77 TPH1 (0.62) TPH1TPH2SLC7A5

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 TPH1 3558/4885TPH2 3547/4885CCR1 4146/4885

“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.