SCHEMBL20116251

SCHEMBL20116251

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)NCc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
SSTR4 P31391 1/20 0.47
NAMPT P43490 4/20 0.47
TACR1 P25103 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
RAB9A P51151 1/20 0.43
USP30 Q70CQ3 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 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
SCHEMBL20116390 0.88 TACR1 (0.54) ALDH1A1SSTR4NAMPTTACR1KCNH2
SCHEMBL20676685 0.86 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1SSTR4NAMPTTACR1
SCHEMBL20116384 0.83 GPR119 (0.47) SMN1; SMN2ALDH1A1SSTR4NAMPTTACR1
SCHEMBL25155871 0.80 GPR119 (0.52) ALDH1A1SSTR4NAMPTTACR1KCNH2
SCHEMBL31359953 0.80 GPR119 (0.52) ALDH1A1SSTR4NAMPTTACR1KCNH2
SCHEMBL30344314 0.80 GPR119 (0.52) ALDH1A1SSTR4NAMPTTACR1KCNH2
SCHEMBL23951619 0.80 TACR1 (0.72) SMN1; SMN2ALDH1A1MAPK1NAMPTTACR1
SCHEMBL20116385 0.78 TACR1 (0.46) SSTR4NAMPTTACR1KCNH2SCN5A
SCHEMBL20116426 0.78 ROCK2 (0.49) MAPK1SSTR4NAMPTTACR1KCNH2
SCHEMBL29455217 0.78 SSTR4 (0.44) SMN1; SMN2SSTR4NAMPTTACR1KCNH2

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 SMN1; SMN2 13/4885ALDH1A1 656/4885MAPK1 4304/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885ALDH1A1 656/4885MAPK1 4304/4885

“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.