SCHEMBL20697397

SCHEMBL20697397

CC(C)(C)OC(=O)Nc1cccn([C@H]2CC[C@@H](N3CCOCC3)CC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.47
OPRM1 P35372 3/20 0.43
OPRD1 P41143 3/20 0.43
OGFRL1 Q5TC84 3/20 0.43
IRAK4 Q9NWZ3 4/20 0.40
PRKDC P78527 1/20 0.40
ELANE P08246 2/20 0.38
CD274 Q9NZQ7 1/20 0.38
KDM4E B2RXH2 2/20 0.37
OPRK1 P41145 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 1/20 0.36
HTR1B P28222 1/20 0.36
FLT3 P36888 1/20 0.36
ROCK1 Q13464 1/20 0.36
NTRK2 Q16620 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL27357534 0.91 TYK2 (0.40) TYK2OPRM1OPRD1OGFRL1IRAK4
SCHEMBL21246072 0.85 OPRM1 (0.45) TYK2OPRM1OPRD1OGFRL1IRAK4
SCHEMBL20689441 0.84 OPRM1 (0.49) TYK2OPRM1OPRD1OGFRL1IRAK4
SCHEMBL20689143 0.84 TYK2 (0.42) TYK2OPRM1OPRD1OGFRL1IRAK4
SCHEMBL21258415 0.84 TYK2 (0.42) TYK2OPRM1OPRD1OGFRL1IRAK4
SCHEMBL20689512 0.84 TYK2 (0.42) TYK2OPRM1OPRD1OGFRL1IRAK4
SCHEMBL31245702 0.83 ELANE (0.38) TYK2OPRM1OPRD1OGFRL1IRAK4
SCHEMBL20689416 0.83 TYK2 (0.44) TYK2
SCHEMBL20689650 0.83 TYK2 (0.43) TYK2OPRM1OPRD1OGFRL1IRAK4
SCHEMBL20689226 0.83 TYK2 (0.43) TYK2OPRM1OPRD1OGFRL1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 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 (9 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-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885OPRM1 4673/4885OPRD1 4645/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885OPRM1 4673/4885OPRD1 4645/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885OPRM1 4673/4885OPRD1 4645/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885OPRM1 4673/4885OPRD1 4645/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885OPRM1 4673/4885OPRD1 4645/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885OPRM1 4673/4885OPRD1 4645/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885OPRM1 4673/4885OPRD1 4645/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885OPRM1 4673/4885OPRD1 4645/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885OPRM1 4673/4885OPRD1 4645/4885

“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.