SCHEMBL20063427

SCHEMBL20063427

CN1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2NC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.43
VNN1 O95497 2/20 0.32
PKM P14618 2/20 0.32
CNR2 P34972 1/20 0.31
BCHE P06276 2/20 0.31
CCR5 P51681 1/20 0.31
OPRK1 P41145 2/20 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
SCHEMBL20063416 0.91 SCN9A (0.41) SCN9AVNN1CCR5
SCHEMBL20073130 0.85 SCN9A (0.43) SCN9APKMCNR2BCHECCR5
SCHEMBL20096278 0.85 SCN9A (0.43) SCN9APKMCNR2BCHECCR5
SCHEMBL20063434 0.83 SCN9A (0.42) SCN9APKMCNR2BCHECCR5
SCHEMBL20063493 0.79 SCN9A (0.42) SCN9AOPRK1
SCHEMBL20063458 0.74 SCN9A (0.35) SCN9A
SCHEMBL20096210 0.73 CCR5 (0.47) PKMBCHECCR5
SCHEMBL20096230 0.73 CCR5 (0.47) PKMBCHECCR5
SCHEMBL4781528 0.73 CCR5 (0.47) PKMBCHECCR5
SCHEMBL20072938 0.73 SCN9A (0.40) SCN9AVNN1CCR5

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 1478/4885VNN1 3372/4885PKM 2488/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885VNN1 3372/4885PKM 2488/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885VNN1 3383/4885PKM 2407/4885

“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.