SCHEMBL21838644

SCHEMBL21838644

CN(C)[C@H]1C[C@@H](c2cccc(Cl)c2)CC[C@@H]1N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.39
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ CCKBR P32239 1/20 0.37
▸ SLC9A1 P19634 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ HTR2A P28223 4/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ HTR2B P41595 4/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ TP53 P04637 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
SCHEMBL21838602 0.92 KMO (0.37) SCN9AHSD11B1
SCHEMBL21838641 0.92 KMO (0.37) SCN9AHSD11B1
SCHEMBL21838628 0.87 AKR1C3 (0.44) RIPK1HSD11B1
SCHEMBL21838645 0.84 SCN9A (0.45) SCN9AHTR2C
SCHEMBL21838629 0.84 SCN9A (0.45) SCN9AHTR2C
SCHEMBL21838609 0.83 SCN9A (0.41) SCN9A
SCHEMBL21838555 0.77 HSD11B1 (0.40) SCN9AHTR2CHSD11B1
SCHEMBL23140960 0.76 SLC6A2 (0.44) SCN9ASLC6A2SLC6A4SLC6A3SLC9A1
SCHEMBL23639039 0.76 SLC6A2 (0.44) SCN9ASLC6A2SLC6A4SLC6A3SLC9A1
SCHEMBL23639029 0.75 SLC6A2 (0.40) SCN9ASLC6A2SLC6A4SLC6A3HTR2A

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 — — 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1478/4885SLC6A2 633/4885SLC6A4 1294/4885

“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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