SCHEMBL19083720

SCHEMBL19083720

CCOC(=O)CN(C)C(=O)c1ccc(OCc2cccnc2)c(OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.44
GRM5 P41594 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMPD1 P17405 1/20 0.42
BRD4 O60885 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
TNFRSF1A P19438 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL19075715 0.91 LRRK2 (0.47) LRRK2LMNAALDH1A1THRBGRM5
SCHEMBL19083717 0.88 NPC1 (0.42) LMNATHRBKMT2AMEN1HSD17B10
SCHEMBL19083815 0.87 CYP3A4 (0.41) LRRK2LMNAALDH1A1THRBKMT2A
SCHEMBL19075706 0.81 LRRK2 (0.44) LRRK2LMNAALDH1A1THRBCYP11B1
SCHEMBL19075723 0.78 NPC1 (0.43) LMNATHRBBRD4HSD17B10KDM4E
SCHEMBL30038114 0.78 HTT (0.50) LMNAALDH1A1KMT2AMEN1HSD17B10
SCHEMBL19083716 0.77 NPC1 (0.41) LMNATHRBKMT2AMEN1HSD17B10
SCHEMBL8889868 0.72 ALDH1A1 (0.60) LMNAALDH1A1KMT2AMEN1SMPD1
SCHEMBL29852285 0.71 CHRNB2 (0.60) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL23317129 0.71 ALDH1A1 (0.59) LMNAALDH1A1KMT2AMEN1SMPD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 US disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
US-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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 (5 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 LRRK2 3077/4885LMNA 462/4885ALDH1A1 1155/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 LRRK2 3077/4885LMNA 462/4885ALDH1A1 1155/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 LRRK2 3077/4885LMNA 462/4885ALDH1A1 1155/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 LRRK2 3077/4885LMNA 462/4885ALDH1A1 1155/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 LRRK2 3077/4885LMNA 462/4885ALDH1A1 1155/4885

“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.