SCHEMBL19013075

SCHEMBL19013075

CC(C)(C)OC(=O)N1CCN(Cc2cccc(C#N)n2)CCN(Cc2cccc(C#N)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
GPR119 Q8TDV5 6/20 0.44
NSD2 O96028 1/20 0.44
TBK1 Q9UHD2 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PARP1 P09874 2/20 0.42
ACKR3 P25106 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
SCHEMBL31731787 0.89 GRM5 (0.45) GRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL23922807 0.83 GRM5 (0.51) GRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL465791 0.82 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3TBK1
SCHEMBL949354 0.82 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL16061780 0.82 FAAH (0.58) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL25282066 0.81 CHRM4 (0.46) CHRM2CHRM4CHRM1CHRM3TBK1
SCHEMBL22769224 0.81 CHRM2 (0.46) GRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL22166944 0.80 ACHE (0.48) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL2137893 0.77 ALDH1A1 (0.68) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL617183 0.76 FAAH (0.47) CHRM2CHRM4CHRM1CHRM3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696694-B2 Lanthanide complexes for crystallising biological macromolecules and determining the crystallographic structure thereof ECOLE NORMALE SUPERIEURE LE LYON (FR) 2020-06-30 US disclosed
WO-2017103545-A1 LANTHANIDE COMPLEXES FOR CRYSTALLISING BIOLOGICAL MACROMOLECULES AND DETERMINING THE CRYSTALLOGRAPHIC STRUCTURE THEREOF ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-06-22 WO 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-10696694-B2 Lanthanide complexes for crystallising biological macromolecules and determining the crystallographic structure thereof SSB, F12, LGALS1 GRM5 4292/4885CHRM2 2088/4885CHRM4 1761/4885

“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.