SCHEMBL20063430

SCHEMBL20063430

CN(C)[C@H]1Cc2ccccc2C[C@@H]1NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
SIGMAR1 Q99720 4/20 0.34
DRD3 P35462 1/20 0.33
HTR2A P28223 4/20 0.32
HRH1 P35367 2/20 0.32
DRD5 P21918 3/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
KAT2B Q92831 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL20063517 1.00 SCN9A (0.35) SCN9ASIGMAR1DRD3HTR2AHRH1
SCHEMBL20095802 0.80 SIGMAR1 (0.37) SCN9ASIGMAR1DRD3HTR2AHRH1
SCHEMBL20073061 0.76 DRD3 (0.40) SCN9ASIGMAR1DRD3HTR2AHRH1
SCHEMBL20072752 0.76 DRD3 (0.35) SCN9ASIGMAR1DRD3HTR2AHRH1
SCHEMBL7750182 0.71 IDO1 (0.44) SIGMAR1IDO1
SCHEMBL30582768 0.70 MAOB (0.40) SIGMAR1
SCHEMBL20063494 0.70 SCN9A (0.40) SCN9ASIGMAR1
SCHEMBL13761888 0.69 ADORA2A (0.43) SIGMAR1
SCHEMBL13761886 0.69 ADORA2A (0.43) SIGMAR1
SCHEMBL12362858 0.69 ADORA2A (0.43) SIGMAR1

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 1478/4885SIGMAR1 459/4885DRD3 1565/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885SIGMAR1 459/4885DRD3 1565/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885SIGMAR1 421/4885DRD3 1610/4885

“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.