SCHEMBL25988334

SCHEMBL25988334

COc1ccc([C@@]2(C)OP(Cl)N3CCC[C@H]32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
CYP3A4 P08684 2/20 0.34
CTSE P14091 2/20 0.34
CYP2C19 P33261 2/20 0.34
BACE1 P56817 2/20 0.34
MAOB P27338 2/20 0.33

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
SCHEMBL25970852 0.85 HRH3 (0.32) SLC6A2SLC6A3HRH3CHRNA1CHRNG
SCHEMBL25986949 0.82 KDM2B (0.34) HRH3
SCHEMBL25969376 0.80 SLC18A3 (0.34) SLC6A4SLC6A2SLC6A3
SCHEMBL25986438 0.80 HRH3 (0.42) HRH3
SCHEMBL20596379 0.76 CHRM2 (0.33) SLC6A4SLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL20596233 0.76 CHRM2 (0.33) SLC6A4SLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL25970952 0.76 CHRNA1 (0.32) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL25970892 0.75 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3CHRNA1CHRNB1
SCHEMBL25971026 0.75 HCRTR1 (0.33)
SCHEMBL25988291 0.70 BACE1 (0.40) SLC6A4SLC6A2SLC6A3GRIN1GRIN2A

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-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 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-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT SLC6A4 1561/4885SLC6A2 2493/4885SLC6A3 3086/4885

“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.