SCHEMBL20063434

SCHEMBL20063434

CC(C)N[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCN(C)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.33
CCR5 P51681 1/20 0.33
DPP4 P27487 1/20 0.32
KCNH2 Q12809 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
PKM P14618 2/20 0.32
CNR2 P34972 1/20 0.32
BCHE P06276 3/20 0.32
GAA P10253 1/20 0.32
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
SCHEMBL20072938 0.91 SCN9A (0.40) SCN9AMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL20073130 0.86 SCN9A (0.43) SCN9AMEN1KMT2ASMN1; SMN2CCR5
SCHEMBL20096278 0.86 SCN9A (0.43) SCN9AMEN1KMT2ASMN1; SMN2CCR5
SCHEMBL20063427 0.83 SCN9A (0.43) SCN9ACCR5PKMCNR2BCHE
SCHEMBL20063483 0.78 SCN9A (0.41) SCN9AMEN1KMT2ASMN1; SMN2OPRK1
SCHEMBL20063527 0.77 SCN9A (0.41) SCN9AMEN1KMT2ASMN1; SMN2OPRK1
SCHEMBL20063466 0.77 SCN9A (0.41) SCN9AMEN1KMT2ASMN1; SMN2OPRK1
SCHEMBL4781528 0.74 CCR5 (0.47) KMT2ACCR5DPP4KCNH2DPP8
SCHEMBL20096210 0.74 CCR5 (0.47) KMT2ACCR5DPP4KCNH2DPP8
SCHEMBL20096230 0.74 CCR5 (0.47) KMT2ACCR5DPP4KCNH2DPP8

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 1478/4885MEN1 130/4885KMT2A 3719/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885MEN1 130/4885KMT2A 3719/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885MEN1 139/4885KMT2A 3753/4885

“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.