SCHEMBL4088265

SCHEMBL4088265

C[C@@H]1CN([C@H](CO)c2ccc(Br)nc2)CCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.36
TRPV1 Q8NER1 5/20 0.34
LIMK2 P53671 2/20 0.31

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
SCHEMBL4102727 1.00 SLC6A9 (0.36) SLC6A9TRPV1LIMK2
SCHEMBL4097078 0.81 TP53 (0.44) SLC6A9
SCHEMBL4106918 0.81 TP53 (0.44) SLC6A9
SCHEMBL4094701 0.81 SLC6A9 (0.50) SLC6A9
SCHEMBL31111640 0.73 CHRNB2 (0.46)
SCHEMBL4103924 0.72 SLC6A9 (0.49) SLC6A9
SCHEMBL20483641 0.72 MGLL (0.46)
SCHEMBL20483640 0.72 MGLL (0.46)
SCHEMBL18263722 0.68 SLC6A9 (0.66) SLC6A9
SCHEMBL18263843 0.68 SLC6A9 (0.66) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT SLC6A9 4784/4885TRPV1 3408/4885LIMK2 3144/4885

“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.