SCHEMBL22958644

SCHEMBL22958644

Cc1nccc(C(C)I)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ AAK1 Q2M2I8 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 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
SCHEMBL807734 0.82 GRM4 (0.37) GRM4KDM4ELMNAPOLBAAK1
SCHEMBL28402863 0.78 GRM4 (0.35) GRM4KDM4ELMNAPOLBAAK1
SCHEMBL31728162 0.78 SORD (0.36) GRM4KDM4ELMNAPOLBAAK1
SCHEMBL21323650 0.78 GRM4 (0.35) GRM4KDM4ELMNAPOLBAAK1
SCHEMBL24359772 0.77 GRM4 (0.34) GRM4KDM4ELMNAPOLBAAK1
SCHEMBL23206269 0.76 IDH1 (0.36) GRM4KDM4ELMNAPOLBAAK1
SCHEMBL28223078 0.75 POLB (0.40) GRM4KDM4ELMNAPOLBAAK1
SCHEMBL25986793 0.74 GRM4 (0.33) GRM4KDM4ELMNA
SCHEMBL21784412 0.72 GRM4 (0.34) GRM4KDM4ELMNAPOLBAAK1
SCHEMBL2751610 0.72 SMN1; SMN2 (0.46) GRM4KDM4ELMNAPOLBAAK1

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-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-02-11 — — 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-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR GRM4 1120/4885KDM4E 3944/4885LMNA 3246/4885

“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.

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