SCHEMBL3140213

SCHEMBL3140213

CN(C)C(=O)C1CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.40
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GABRR2 P28476 1/20 0.34
GRM2 Q14416 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
DPP4 P27487 2/20 0.34
DPP9 Q86TI2 1/20 0.34
PPM1B O75688 1/20 0.33
KMO O15229 2/20 0.32
GLI1 P08151 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
SCHEMBL18991404 1.00 GABRR1 (0.40) GABRR1ALDH1A1TSHRGABRR2GRM2
SCHEMBL11826262 0.89 ALDH1A1 (0.42) ALDH1A1TSHRCTSBCTSSCTSK
SCHEMBL11826258 0.89 ALDH1A1 (0.42) ALDH1A1TSHRCTSBCTSSCTSK
SCHEMBL10208151 0.80 ALDH1A1 (0.35) ALDH1A1TSHRCTSBCTSSCTSK
SCHEMBL13863235 0.80 ALDH1A1 (0.35) ALDH1A1TSHRCTSBCTSSCTSK
SCHEMBL18992125 0.78 EPHX1 (0.37) ALDH1A1TSHRCTSBCTSSCTSK
SCHEMBL7681466 0.78 GABRR1 (0.34) GABRR1ALDH1A1GABRR2GRM2
SCHEMBL5555921 0.78 MCL1 (0.35) GABRR1GABRR2GRM2
SCHEMBL18042386 0.78 MCL1 (0.35) GABRR1GABRR2GRM2
SCHEMBL6441767 0.78 MCL1 (0.35) GABRR1GABRR2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-7847041-B2 Cobalt-catalyzed asymmetric cyclopropanation of electron-deficient olefins UNIVERSITY OF SOUTH FLORIDA (US) 2010-12-07 US disclosed
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-25 US disclosed
US-20090069519-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS NATIONAL SCIENCE FOUNDATION 2009-03-12 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 (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-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS DUOX2, DUOX1, PPOX GABRR1 2027/4885ALDH1A1 1047/4885TSHR 4506/4885

“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.