SCHEMBL29915399

SCHEMBL29915399

CC(C)(C)OC(=O)N1CC/C(=C\Br)C(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.42
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.39
GRM5 P41594 7/20 0.38
RORC P51449 2/20 0.38
ADORA1 P30542 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL3880132 0.84 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2GRM5
SCHEMBL3880129 0.84 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2GRM5
SCHEMBL29614722 0.84 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2GRM5
SCHEMBL29614642 0.84 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2GRM5
SCHEMBL3881785 0.83 GRM5 (0.42) NR1H2USP2SMN1; SMN2ESR2GRM5
SCHEMBL3878421 0.83 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2GRM5
SCHEMBL3878423 0.83 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2GRM5
SCHEMBL3881781 0.83 GRM5 (0.42) NR1H2USP2SMN1; SMN2ESR2GRM5
SCHEMBL29915379 0.82 GRM5 (0.43) NR1H2USP2SMN1; SMN2ESR2GRM5
SCHEMBL20658743 0.80 GRM5 (0.45) NR1H2USP2SMN1; SMN2ESR2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors Recordati Industria Chimica e Farmacentica S.p.A. (IT) 2022-09-13 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-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors GRM5, GRIK5, GRM2 NR1H2 342/4885USP2 3428/4885SMN1; SMN2 2595/4885

“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.