SCHEMBL20063485

SCHEMBL20063485

CC(C)CC(=O)N1CC(N(C)[C@H]2CCCC[C@@H]2NC(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.46
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.32
CCR5 P51681 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 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
SCHEMBL20072919 0.89 SCN9A (0.44) SCN9AJAK2JAK1SMN1; SMN2PTPN1
SCHEMBL21907015 0.82 SCN9A (0.44) SCN9ASMN1; SMN2MEN1KMT2A
SCHEMBL20095899 0.80 SMN1; SMN2 (0.41) SCN9AJAK2JAK1SMN1; SMN2PTPN1
SCHEMBL20063440 0.75 PIM1 (0.33)
SCHEMBL20095970 0.73 SMN1; SMN2 (0.48) JAK2JAK1SMN1; SMN2PTPN1POLB
SCHEMBL20063442 0.72 SCN9A (0.41) SCN9A
SCHEMBL20063436 0.71 SCN9A (0.35) SCN9A
SCHEMBL20063482 0.71 SCN9A (0.44) SCN9A
SCHEMBL20063333 0.70 SMN1; SMN2 (0.46) JAK2JAK1SMN1; SMN2PTPN1POLB
SCHEMBL24260113 0.70 SCN9A (0.33) SCN9ASMN1; SMN2MEN1KMT2A

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 1478/4885JAK2 20/4885JAK1 150/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885JAK2 20/4885JAK1 150/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885JAK2 21/4885JAK1 171/4885

“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.