SCHEMBL2554745

SCHEMBL2554745

CC(C)CC1CC1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.52
GABRR2 P28476 1/20 0.52
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 4/20 0.38
CA12 O43570 4/20 0.38
ALDH1A1 P00352 1/20 0.36
FFAR4 Q5NUL3 3/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL13956105 0.82 GABRR1 (0.39) GABRR1GABRR2GRM2GRM3CA1
SCHEMBL3478014 0.82 ALDH1A1 (0.33) GABRR1GABRR2GRM2GRM3ALDH1A1
SCHEMBL14231527 0.78 MEN1 (0.30) GABRR1GABRR2ALDH1A1
SCHEMBL21570217 0.77 GABRR1 (0.52) GABRR1GABRR2GRM2GRM3CA1
SCHEMBL21570218 0.77 GABRR1 (0.52) GABRR1GABRR2GRM2GRM3CA1
SCHEMBL29132884 0.77 GABRR1 (0.52) GABRR1GABRR2GRM2GRM3CA1
SCHEMBL21570125 0.77 GABRR1 (0.52) GABRR1GABRR2GRM2GRM3CA1
SCHEMBL18459537 0.77 DPP4 (0.33)
SCHEMBL6049155 0.77 GABRR1 (0.42) GABRR1GABRR2GRM2GRM3CA1
SCHEMBL6674924 0.75 KDM4E (0.35) GABRR1GABRR2GRM2GRM3ALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20150291611-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
EP-1592661-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-11-09 EP disclosed
WO-2004065361-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
US-4130655-A Pesticidal 2,2-dimethyl-3-isobutyl-cyclopropionates CIBA-GEIGY CORPORATION (US) 1978-12-19 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-20150291611-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 GABRR1 3768/4885GABRR2 4198/4885GRM2 4382/4885

“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.