SCHEMBL29433993

SCHEMBL29433993

CC1CCC2CC1(C(=O)Cl)C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
CHRNB2 P17787 4/20 0.32
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNA7 P36544 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRNA1 P02708 3/20 0.32
CHRNG P07510 3/20 0.32
CHRNB1 P11230 3/20 0.32
CHRND Q07001 3/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
CHRNE Q04844 1/20 0.32
CHRNA2 Q15822 1/20 0.32

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
SCHEMBL28193800 0.84 NPSR1 (0.33) NPSR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29525553 0.84 MAPK1 (0.33) NPSR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL27874091 0.81 TDP1 (0.34) NPSR1
SCHEMBL31408631 0.79 NPSR1 (0.31) NPSR1
SCHEMBL27584019 0.73 NPSR1 (0.31) NPSR1
SCHEMBL7657874 0.71 HSD11B1 (0.43) CHRNB2CHRNA3CHRNA4
SCHEMBL7657865 0.71 HSD11B1 (0.43) CHRNB2CHRNA3CHRNA4
SCHEMBL5127284 0.65
SCHEMBL5940727 0.65 CHRNB2 (0.32) NPSR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5478238 0.64 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276095-A2 PROCESSES FOR PREPARING ASK1 INHIBITORS Gilead Sciences, Inc. (US) 2023-11-15 EP disclosed
EP-3693366-B1 PROCESSES FOR PREPARING ASK1 INHIBITORS GILEAD SCIENCES INC (US) 2023-06-28 EP disclosed
EP-4126242-A1 TRICYCLIC INHIBITORS OF INFLUENZA VIRUS ENDONUCLEASE SRI International (US) 2023-02-08 EP disclosed
US-20220135527-A1 PROCESSES FOR PREPARING ASK1 INHIBITORS GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-11261161-B2 Processes for preparing ASK1 inhibitors GILEAD SCIENCES, INC. (US) 2022-03-01 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 (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-11261161-B2 Processes for preparing ASK1 inhibitors MAP3K1, MAP3K6, MAP3K7 NPSR1 4570/4885CHRNB2 4820/4885CHRNB4 4843/4885
US-20220135527-A1 PROCESSES FOR PREPARING ASK1 INHIBITORS MAP3K1, MAP3K6, MAP3K7 NPSR1 4570/4885CHRNB2 4820/4885CHRNB4 4843/4885

“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.