SCHEMBL20116385

SCHEMBL20116385

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)NCc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
SSTR4 P31391 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
STS P08842 1/20 0.41
NAMPT P43490 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
MAOA P21397 1/20 0.40
MMP13 P45452 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
CFD P00746 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL20116384 0.89 GPR119 (0.47) TACR1SSTR4KCNH2SCN5ASCN9A
SCHEMBL25155871 0.85 GPR119 (0.52) TACR1SSTR4KCNH2SCN5ASCN9A
SCHEMBL31359953 0.85 GPR119 (0.52) TACR1SSTR4KCNH2SCN5ASCN9A
SCHEMBL30344314 0.85 GPR119 (0.52) TACR1SSTR4KCNH2SCN5ASCN9A
SCHEMBL20116390 0.85 TACR1 (0.54) TACR1SSTR4KCNH2SCN5ASCN9A
SCHEMBL20116251 0.78 SMN1; SMN2 (0.48) TACR1SSTR4KCNH2SCN5ASCN9A
SCHEMBL20676685 0.78 SMN1; SMN2 (0.55) TACR1SSTR4KCNH2SCN5ASCN9A
SCHEMBL352314 0.78 ERCC1 (0.52) ERCC1ERCC4ROCK2ROCK1
SCHEMBL29455217 0.75 SSTR4 (0.44) TACR1SSTR4KCNH2SCN5ASCN9A
SCHEMBL20116426 0.75 ROCK2 (0.49) TACR1SSTR4KCNH2SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 TACR1 493/4885SSTR4 3804/4885ERCC1 3246/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TACR1 493/4885SSTR4 3804/4885ERCC1 3246/4885

“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.