SCHEMBL6313783

SCHEMBL6313783

C1CN(CC23CC4CC(CC(C4)C2)C3)CC[N]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
GRIN2D O15399 4/20 0.38
GRIN3B O60391 4/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2C Q14957 4/20 0.38
GRIN3A Q8TCU5 4/20 0.38
BPTF Q12830 1/20 0.35
HSD11B1 P28845 1/20 0.34
HTT P42858 1/20 0.34
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
GBA1 P04062 1/20 0.31

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
SCHEMBL6313788 0.75 KDM4E (0.58) KDM4ECYP11B1CYP11B2GRIN2DGRIN3B
SCHEMBL24352139 0.75 KDM4E (0.96) KDM4ECYP11B1CYP11B2GRIN2DGRIN3B
SCHEMBL28223160 0.75 KDM4E (0.58) KDM4ECYP11B1CYP11B2GRIN2DGRIN3B
SCHEMBL6313781 0.73 KDM4E (0.56) KDM4ECYP11B1CYP11B2GRIN2DGRIN3B
SCHEMBL7853978 0.68 KDM4E (0.50) KDM4ECYP11B1CYP11B2GRIN2DGRIN3B
SCHEMBL27677697 0.68 KDM4E (0.50) KDM4ECYP11B1CYP11B2GRIN2DGRIN3B
SCHEMBL2200491 0.67 SMN1; SMN2 (0.36) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19173447 0.66 KDM4E (0.47) KDM4EHSD11B1EPHX2ALDH1A1L3MBTL1
SCHEMBL9906604 0.66 KDM4E (0.47) KDM4ECYP11B1CYP11B2GRIN2DGRIN3B
SCHEMBL5949128 0.62 MEN1 (0.30) KMT2AMEN1

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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR KDM4E 2371/4885CYP11B1 525/4885CYP11B2 347/4885

“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.