SCHEMBL19010252

SCHEMBL19010252

CNC(=O)C(C)N1CCC(O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SIGMAR1 Q99720 2/20 0.37
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM1A O60341 1/20 0.34
HSD11B1 P28845 2/20 0.33
GAA P10253 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL27410751 1.00 KDM4E (0.40) KDM4ESIGMAR1ATMNPSR1MEN1
SCHEMBL27410749 1.00 KDM4E (0.40) KDM4ESIGMAR1ATMNPSR1MEN1
SCHEMBL19000029 0.83 KDM4E (0.42) KDM4ESIGMAR1ATMNPSR1MEN1
SCHEMBL23866609 0.83 KDM4E (0.42) KDM4ESIGMAR1ATMNPSR1MEN1
SCHEMBL23866597 0.83 KDM4E (0.42) KDM4ESIGMAR1ATMNPSR1MEN1
SCHEMBL21661362 0.81 KDM4E (0.38) KDM4ESIGMAR1ATMNPSR1MEN1
SCHEMBL19022016 0.80 SIGMAR1 (0.43) KDM4ESIGMAR1ATMNPSR1MEN1
SCHEMBL15330120 0.80 SIGMAR1 (0.38) KDM4ESIGMAR1ATMNPSR1MEN1
SCHEMBL19009039 0.80 PIK3CD (0.35) KDM4EATM
SCHEMBL11293431 0.79 ATM (0.50) KDM4ESIGMAR1ATMNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 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 (4 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 1863/4885SIGMAR1 464/4885ATM 807/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 1863/4885SIGMAR1 464/4885ATM 807/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 KDM4E 1863/4885SIGMAR1 464/4885ATM 807/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 1982/4885SIGMAR1 581/4885ATM 1235/4885

“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.