SCHEMBL17099540

SCHEMBL17099540

COC(=O)N1c2cc(N)ccc2CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSHR P23945 1/20 0.39
NR1H2 P55055 1/20 0.36
GAA P10253 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
HSD17B3 P37058 1/20 0.35
RAD52 P43351 2/20 0.34
GFER P55789 2/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
CRBN Q96SW2 1/20 0.32
MMP8 P22894 2/20 0.31
MMP3 P08254 1/20 0.31
HSPA9 P38646 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
SCHEMBL17099543 0.83 NPC1 (0.36) FFAR4HSD17B3GFERKDM4ELMNA
SCHEMBL17099539 0.80 HTT (0.42) GAAMAPTALDH1A1HSPA9MEN1
SCHEMBL12036060 0.74 FFAR4 (0.44) GAAFFAR4MAPTKDM4EALDH1A1
SCHEMBL30350644 0.74 FFAR4 (0.44) GAAFFAR4MAPTKDM4EALDH1A1
SCHEMBL2306195 0.71 NOTUM (0.43) FSHRGAABRD4ATAD2HSD17B3
SCHEMBL22091235 0.71 NR1H2 (0.47) FSHRNR1H2BRD4ATAD2HSD17B3
SCHEMBL29963540 0.71 BRD4 (0.51) NR1H2BRD4ATAD2HSD17B3MAPT
SCHEMBL2306434 0.71 BRD4 (0.51) NR1H2BRD4ATAD2HSD17B3MAPT
SCHEMBL27612641 0.70 NR1H2 (0.42) NR1H2GAABRD4ATAD2HSD17B3
SCHEMBL27612686 0.69 ALDH1A1 (0.43) NR1H2GAABRD4ATAD2GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238198-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-08-05 US disclosed
US-10968236-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-04-06 US disclosed
US-20190248810-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 US disclosed
US-10253046-B2 TYK2 inhibitors and uses thereof Nimbus Lakshmi (US) 2019-04-09 US disclosed
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-26 US disclosed
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-26 US disclosed
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-01 US disclosed
WO-2016138352-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2016-09-01 WO disclosed
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-01 US disclosed
WO-2015143376-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS NIVALIS THERAPEUTICS, INC. (US) 2015-09-24 WO 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 (6 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-20210238198-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 FSHR 2442/4885NR1H2 3260/4885GAA 1899/4885
US-10968236-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 FSHR 2442/4885NR1H2 3260/4885GAA 1899/4885
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 FSHR 2442/4885NR1H2 3260/4885GAA 1899/4885
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 FSHR 2442/4885NR1H2 3260/4885GAA 1899/4885
US-10253046-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 FSHR 2442/4885NR1H2 3260/4885GAA 1899/4885
US-20190248810-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 FSHR 2442/4885NR1H2 3260/4885GAA 1899/4885

“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.