SCHEMBL23958759

SCHEMBL23958759

CC(C)(C)OC(=O)NCC(O)(c1cc(C(C)(C)O)cc(-c2ccc(F)cc2)n1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.39
ACACA Q13085 5/20 0.39
GRM2 Q14416 1/20 0.38
SCN9A Q15858 1/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGDS O60760 1/20 0.35
RORC P51449 2/20 0.35
SYK P43405 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL30211239 1.00 ACACB (0.39) ACACBACACAGRM2SCN9ATP53
SCHEMBL23930091 0.88 VCP (0.40) SCN9ATP53SMN1; SMN2L3MBTL1RXFP1
SCHEMBL25687066 0.87 ACACB (0.42) ACACBACACAGRM2SCN9ATP53
SCHEMBL31412380 0.86 GRM2 (0.41) ACACBACACAGRM2SCN9ATP53
SCHEMBL31412343 0.84 RORC (0.40) ACACBACACARORCSYK
SCHEMBL30471293 0.84 GRM2 (0.40) ACACBACACAGRM2SCN9ATP53
SCHEMBL25687014 0.84 GRM2 (0.40) ACACBACACAGRM2SCN9ATP53
SCHEMBL16533494 0.81 NTMT1 (0.36) ACACBACACAGRM2SCN9ATP53
SCHEMBL16533676 0.81 NTMT1 (0.36) ACACBACACAGRM2SCN9ATP53
SCHEMBL30007222 0.81 CFTR (0.38) ACACBACACAGRM2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 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 (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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE ACACB 3195/4885ACACA 2901/4885GRM2 3975/4885

“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.