SCHEMBL4532840

SCHEMBL4532840

O=C(O)C1CCC2(CCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.43
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
GRM4 Q14833 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRM5 P41594 1/20 0.43
MTOR P42345 1/20 0.43
GRM1 Q13255 1/20 0.43
PLCB1 Q9NQ66 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42

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
SCHEMBL8810863 0.95 CYP2C19 (0.46) CYP2C19TSHRLMNAGRM2GRM3
SCHEMBL515587 0.93 CYP2C19 (0.44) CYP2C19TSHRLMNAGRM2GRM3
SCHEMBL8004566 0.92 CYP2C19 (0.52) CYP2C19TSHRLMNAGRM2GRM3
Hydrochloric Acid SCHEMBL11636408 0.91 CYP2C19 (0.42) CYP2C19TSHRLMNAGRM2GRM3
SCHEMBL848416 0.90 CYP2C19 (0.50) CYP2C19TSHRLMNAGRM2GRM3
SCHEMBL31332713 0.86 CYP2C19 (0.54) CYP2C19TSHRLMNAGRM2GRM3
SCHEMBL23603993 0.81 CYP2C19 (0.42) CYP2C19TSHRLMNAGRM2GRM3
SCHEMBL3021254 0.81 CYP2C19 (0.54) CYP2C19TSHRLMNAGRM2GRM3
SCHEMBL6620534 0.79 TSHR (0.60) CYP2C19TSHRLMNAGRM2GRM3
SCHEMBL4072778 0.79 CYP2C19 (0.52) CYP2C19TSHRLMNAGRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785715-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS Aurigene Discovery Technologies Limited (IN) 2014-10-08 EP claimed
WO-2013080222-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2013-06-06 WO claimed
EP-4561575-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
US-20250170248-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-05-29 US disclosed
CN-119101069-A Spiro compounds and uses thereof 轩竹生物科技股份有限公司 2024-12-10 CN disclosed
WO-2024026486-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
WO-2020150417-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-07-23 WO disclosed
EP-2861566-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. Hoffmann-La Roche AG (CH) 2015-04-22 EP disclosed
WO-2013186159-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-19 WO disclosed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 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-20250170248-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 CYP2C19 3201/4885TSHR 4388/4885LMNA 341/4885
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 CYP2C19 410/4885TSHR 2950/4885LMNA 1837/4885

“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.