SCHEMBL18896148

SCHEMBL18896148

CC(C)NC(=O)c1cnco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.52
F2R P25116 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CTSS P25774 1/20 0.39
XDH P47989 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
NTRK1 P04629 1/20 0.37
CHRM2 P08172 1/20 0.37
GRM5 P41594 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36

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
SCHEMBL23052114 0.81 ACACB (0.49) ACACBF2R
SCHEMBL28724536 0.80 ACACB (0.44) ACACBCTSS
SCHEMBL28724537 0.80 ACACB (0.44) ACACBCTSS
SCHEMBL24567585 0.80 ACACB (0.54) ACACBNPC1RAB9A
SCHEMBL29707808 0.79 ACACB (0.43) ACACBCTSS
SCHEMBL2928096 0.79
Hydrochloric Acid SCHEMBL28665424 0.77 CHRNA4 (0.41) ACACBF2RCHRNB2CHRNB4CHRNA3
SCHEMBL25060914 0.76
SCHEMBL888662 0.75 CHRNA4 (0.39) ACACBF2RCHRNB2CHRNB4CHRNA3
SCHEMBL23801250 0.74 F2R (0.40) ACACBF2RCHRNB2CHRNB4CHRNA3

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
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-9663466-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 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-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 ACACB 287/4885F2R 2745/4885CHRNB2 3074/4885

“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.