SCHEMBL20063536

SCHEMBL20063536

CN[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.46
HTR2C P28335 2/20 0.46
DRD2 P14416 1/20 0.43
HCRTR2 O43614 1/20 0.39
CCR2 P41597 3/20 0.39

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 0.83 SCN9A (0.49) SCN9AHTR2C
SCHEMBL20063503 0.81 SCN9A (0.50) SCN9AHTR2CDRD2
SCHEMBL23140857 0.81 HTR2C (0.49) SCN9AHTR2CDRD2HCRTR2CCR2
SCHEMBL21294783 0.81 HTR2C (0.47) SCN9AHTR2CDRD2HCRTR2CCR2
SCHEMBL20095838 0.79 SCN9A (0.48) SCN9AHTR2CDRD2
SCHEMBL20095915 0.79 SCN9A (0.48) SCN9AHTR2CDRD2
SCHEMBL20063390 0.79 SCN9A (0.51) SCN9AHTR2C
SCHEMBL21307056 0.77 SCN9A (0.46) SCN9AHTR2CHCRTR2CCR2
SCHEMBL21306627 0.77 SCN9A (0.46) SCN9AHTR2CHCRTR2CCR2
SCHEMBL20095510 0.76 HTR2C (0.44) SCN9AHTR2CDRD2HCRTR2

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 1478/4885HTR2C 1243/4885DRD2 1844/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885HTR2C 1243/4885DRD2 1844/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885HTR2C 1184/4885DRD2 1936/4885

“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.