SCHEMBL27083166

SCHEMBL27083166

O=CC1(c2ccsc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 5/20 0.32
SLC6A4 P31645 5/20 0.32
SLC6A3 Q01959 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
LDHA P00338 1/20 0.30
LDHB P07195 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
DAO P14920 1/20 0.30
KCNA3 P22001 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL27082164 0.92 CHRM1 (0.33) CHRM1SLC6A2SLC6A4SLC6A3HCAR3
SCHEMBL27083197 0.72 KCNA3 (0.32) CHRM1KCNA3
SCHEMBL27082374 0.71 KCNA3 (0.36) CHRM1SLC6A2SLC6A4SLC6A3KCNA3
SCHEMBL11321747 0.69 SLC6A2 (0.33) SLC6A2SLC6A4
SCHEMBL568885 0.69 MEN1 (0.41)
SCHEMBL4444902 0.68 CHRM1 (0.33) CHRM1SLC6A2SLC6A4SLC6A3HCAR3
SCHEMBL19866165 0.67 ESR1 (0.43) CHRM1SLC6A2SLC6A4HCAR3HCAR2
SCHEMBL28018276 0.67 CES2 (0.40) CHRM1SLC6A2SLC6A4SLC6A3HCAR3
SCHEMBL27082151 0.65
SCHEMBL8290260 0.65 CYP2A6 (0.41) SLC6A2SLC6A4SLC6A3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190888-A1 SPIRO-CONTAINING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHUJING BIOPHARMA CO., LTD (CN) 2024-06-13 US disclosed
EP-4317164-A1 SPIRO-CONTAINING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shujing Biopharma Co., Ltd (CN) 2024-02-07 EP disclosed
CN-116987095-A Spiro-containing derivative, preparation method and application thereof 上海枢境生物科技有限公司 2023-11-03 CN disclosed
CN-116057060-B Spiro-containing derivative, preparation method and application thereof 上海枢境生物科技有限公司 2023-08-29 CN disclosed
CN-116057060-A Spiro-containing derivative, preparation method and application thereof 上海枢境生物科技有限公司 2023-05-02 CN disclosed
WO-2022206706-A1 SPIRO-CONTAINING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海枢境生物科技有限公司 2022-10-06 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-20240190888-A1 SPIRO-CONTAINING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF TACR1, HTR5A, TACR2 CHRM1 1558/4885SLC6A2 42/4885SLC6A4 30/4885

“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.