SCHEMBL23225625

SCHEMBL23225625

OC[C@H]1OC[C@H](F)[C@@H]1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.52
PDE4D Q08499 1/20 0.41
PDPK1 O15530 2/20 0.41
MTOR P42345 1/20 0.41
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
TACR2 P21452 1/20 0.37
BCHE P06276 3/20 0.37
ACHE P22303 1/20 0.36
TACR1 P25103 2/20 0.35

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
SCHEMBL26354181 0.96 SLC6A2 (0.51) SLC6A2PDE4DPDPK1MTORTSHR
SCHEMBL22810243 0.84 BCHE (0.47) SLC6A2PDE4DTSHRBCHEACHE
SCHEMBL18666892 0.84 BCHE (0.47) SLC6A2PDE4DTSHRBCHEACHE
SCHEMBL2692797 0.83 SLC6A2 (0.48) SLC6A2PDE4DPDPK1MTORTSHR
SCHEMBL12162838 0.82 SLC6A2 (0.52) SLC6A2PDE4DPDPK1MTORTSHR
SCHEMBL16224495 0.82 SLC6A2 (0.52) SLC6A2PDE4DPDPK1MTORTSHR
SCHEMBL24894599 0.82 SLC6A2 (0.58) SLC6A2PDE4DPDPK1MTORTSHR
SCHEMBL22710225 0.82 SLC6A2 (0.58) SLC6A2PDE4DPDPK1MTORTSHR
SCHEMBL20107393 0.82 SLC6A2 (0.58) SLC6A2PDE4DPDPK1MTORTSHR
SCHEMBL20193189 0.82 SLC6A2 (0.58) SLC6A2PDE4DPDPK1MTORTSHR

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-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2021-04-15 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-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B SLC6A2 317/4885PDE4D 216/4885PDPK1 2926/4885

“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.