SCHEMBL20063527

SCHEMBL20063527

CC(C)N[C@H]1CCCC[C@@H]1N(C)C(=O)[C@H]1CCCN1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.41
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRK1 P41145 2/20 0.31
REN P00797 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
L3MBTL3 Q96JM7 1/20 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
SCHEMBL20063466 1.00 SCN9A (0.41) SCN9ACYP3A4CYP2D6MEN1KMT2A
SCHEMBL20063483 0.93 SCN9A (0.41) SCN9AMEN1KMT2ASMN1; SMN2OPRK1
SCHEMBL20096287 0.86 SCN9A (0.42) SCN9ACYP3A4CYP2D6OPRK1
SCHEMBL20072938 0.78 SCN9A (0.40) SCN9AMEN1KMT2ASMN1; SMN2
SCHEMBL20063434 0.77 SCN9A (0.42) SCN9AMEN1KMT2ASMN1; SMN2OPRK1
SCHEMBL20063493 0.76 SCN9A (0.42) SCN9AOPRK1
SCHEMBL20072927 0.76 SCN9A (0.40) SCN9AOPRK1
SCHEMBL24260113 0.75 SCN9A (0.33) SCN9AMEN1KMT2ASMN1; SMN2
SCHEMBL20072753 0.75 SCN9A (0.33) SCN9AMEN1KMT2ASMN1; SMN2
SCHEMBL20096239 0.73 CCR5 (0.39) CYP3A4CYP2D6SMN1; SMN2

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 1478/4885CYP3A4 675/4885CYP2D6 590/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885CYP3A4 675/4885CYP2D6 590/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885CYP3A4 720/4885CYP2D6 592/4885

“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.