SCHEMBL20063901

SCHEMBL20063901

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC6A4 P31645 2/20 0.44
HTR2A P28223 6/20 0.41
HTR2C P28335 6/20 0.41
HTR2B P41595 6/20 0.41
HRH3 Q9Y5N1 4/20 0.41
SCN9A Q15858 1/20 0.40
TAAR1 Q96RJ0 1/20 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
SCHEMBL20063856 0.90 HTR2C (0.37) SLC6A2SLC6A3HTR2CSCN9ATAAR1
SCHEMBL21306629 0.84 HTR2C (0.46) SLC6A3SLC6A4HTR2AHTR2CHTR2B
SCHEMBL23639039 0.83 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4HTR2AHTR2C
SCHEMBL23140960 0.83 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4HTR2AHTR2C
SCHEMBL20063902 0.82 AKR1C3 (0.46) SLC6A2SLC6A3HTR2CTAAR1
SCHEMBL21294673 0.81 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4SCN9A
SCHEMBL20063859 0.80 HTR2C (0.49) HTR2AHTR2CHTR2BHRH3SCN9A
SCHEMBL28491550 0.80 HTR2C (0.49) HTR2AHTR2CHTR2BHRH3SCN9A
SCHEMBL20063858 0.80 HTR2C (0.49) HTR2AHTR2CHTR2BHRH3SCN9A
SCHEMBL23639029 0.79 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR2AHTR2C

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 SLC6A2 633/4885SLC6A3 1284/4885SLC6A4 1294/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SLC6A2 633/4885SLC6A3 1284/4885SLC6A4 1294/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SLC6A2 608/4885SLC6A3 1232/4885SLC6A4 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.