SCHEMBL20063492

SCHEMBL20063492

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.45
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38

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
SCHEMBL23638938 0.82 SCN9A (0.49) SCN9AHTR2C
SCHEMBL20073199 0.81 SCN9A (0.46) SCN9A
SCHEMBL23140960 0.80 SLC6A2 (0.44) SCN9ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL23639039 0.80 SLC6A2 (0.44) SCN9ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL23638940 0.79 SCN9A (0.51) SCN9A
SCHEMBL23639104 0.79 SLC6A2 (0.40) SCN9ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL23638948 0.78 SCN9A (0.49) SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL20063901 0.78 SLC6A2 (0.44) SCN9ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL20063915 0.75 KDM1A (0.44) SCN9A
SCHEMBL23639029 0.73 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 4 patents. 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
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (3 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
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885SLC6A2 633/4885SLC6A4 1294/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885SLC6A2 608/4885SLC6A4 1317/4885

“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.