SCHEMBL18347993

SCHEMBL18347993

CC(C)C(=O)NC1CCN(C)CC1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CTSK P43235 1/20 0.35
SSTR4 P31391 7/20 0.34
SSTR1 P30872 4/20 0.34
KDM4E B2RXH2 1/20 0.33
KDM5A P29375 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
CYP3A4 P08684 1/20 0.31
DPP4 P27487 1/20 0.30
PREP P48147 1/20 0.30
FAP Q12884 1/20 0.30

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
SCHEMBL20069710 0.87 RET (0.36) CHRNB4CHRNA3CTSKSSTR4SSTR1
SCHEMBL18347944 0.87 KDM4E (0.33) CHRNB4CHRNA3KDM4EKDM5AMTNR1A
SCHEMBL19801194 0.83 SSTR4 (0.45) SSTR4SSTR1
SCHEMBL15980408 0.81 OGA (0.38) SSTR4SSTR1
SCHEMBL24316215 0.80 SSTR4 (0.34) CHRNB4CHRNA3SSTR4SSTR1KDM4E
SCHEMBL20069720 0.80 SMN1; SMN2 (0.39) CTSKSSTR4SSTR1KDM5APREP
SCHEMBL12304478 0.80 HTR4 (0.36) CHRNB4CHRNA3SSTR4
SCHEMBL20070143 0.80 HSD11B1 (0.40) CHRNB4CHRNA3CTSKSSTR4SSTR1
SCHEMBL18347953 0.77 KDM5A (0.45) SSTR4SSTR1KDM4EKDM5AMTNR1A
SCHEMBL16078081 0.77 KDM5A (0.45) SSTR4SSTR1KDM4EKDM5AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 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 (1 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-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 CHRNB4 3427/4885CHRNA3 3287/4885CTSK 592/4885

“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.