SCHEMBL20073022

SCHEMBL20073022

CN1CC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1N

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.35
OPRK1 P41145 2/20 0.34
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL20096243 0.77 CCR5 (0.40) SIGMAR1
SCHEMBL20096244 0.77 CCR5 (0.40) SIGMAR1
SCHEMBL20063483 0.77 SCN9A (0.41) SCN9AOPRK1
SCHEMBL20095498 0.76 SCN9A (0.33) SCN9AOPRK1
SCHEMBL20072927 0.76 SCN9A (0.40) SCN9AOPRK1SIGMAR1
SCHEMBL20095499 0.76 SCN9A (0.33) SCN9AOPRK1
SCHEMBL20063493 0.76 SCN9A (0.42) SCN9AOPRK1
SCHEMBL23195784 0.74
SCHEMBL16061137 0.72 THRB (0.36) OPRK1SIGMAR1
SCHEMBL24260119 0.72 THRB (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885OPRK1 630/4885SIGMAR1 459/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885OPRK1 609/4885SIGMAR1 421/4885

“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.