SCHEMBL31335161

SCHEMBL31335161

CCO[C@@H]1C[C@H](CO)[C@@H](C(=O)O)[C@H](c2ccc(Br)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 9/20 0.38
▸ SLC6A4 P31645 4/20 0.38
▸ SLC6A2 P23975 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL31195044 1.00 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2ALDH1A1HTR2C
SCHEMBL31195053 1.00 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2ALDH1A1HTR2C
SCHEMBL31195045 1.00 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2ALDH1A1HTR2C
SCHEMBL32662704 1.00 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2ALDH1A1HTR2C
SCHEMBL32662737 0.84 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2HTR2CHTR2B
SCHEMBL31335208 0.84 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2HTR2CHTR2B
SCHEMBL31195028 0.84 FABP7 (0.46) SLC6A3
SCHEMBL31195004 0.84 FABP7 (0.46) SLC6A3
SCHEMBL32662349 0.82 FFAR4 (0.38) SLC6A3SLC6A4SLC6A2HTR2CHTR2B
SCHEMBL31335252 0.82 FFAR4 (0.38) SLC6A3SLC6A4SLC6A2HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719605-A1 CHEMICAL COMPOUNDS AND USES THEREOF GlaxoSmithKline Intellectual Property (No.4) Limited (GB) 2026-04-08 — — EP disclosed
US-20260015321-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2026-01-15 — — US disclosed
WO-2024246862-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 4) LIMITED (GB) 2024-12-05 — — 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 (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-20260015321-A1 CHEMICAL COMPOUNDS AND USES THEREOF WRN, MSH2, MSH6 SLC6A3 1334/4885SLC6A4 604/4885SLC6A2 1281/4885

“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.

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