SCHEMBL6800699

SCHEMBL6800699

CCCCNC(=O)N1CCC(c2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)CC1.CCCCNC(=S)N1CCC(c2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
P2RY12 Q9H244 3/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL6167382 0.95 MEN1 (0.46) KMT2AMEN1HTTGAACNR1
SCHEMBL6167501 0.95 KMT2A (0.46) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL6164723 0.80 HTR2B (0.43) HTTALDH1A1GAAP2RY12
SCHEMBL6166994 0.78 KDM4E (0.46) ALDH1A1P2RY12KDM4E
SCHEMBL6168951 0.76 HTR2B (0.51)
SCHEMBL6167825 0.76 ALDH1A1 (0.54) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL2834201 0.75 HPGDS (0.46)
SCHEMBL6166320 0.73 KCNH2 (0.47)
SCHEMBL2838119 0.73 NAMPT (0.42) ALDH1A1
SCHEMBL6167911 0.73 L3MBTL1 (0.37) ALDH1A1GAAP2RY12KDM4E

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-20040077640-A1 Sodium channel modulators derived from 2-piperidylimidazoles SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-22 US claimed

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-20040077640-A1 Sodium channel modulators derived from 2-piperidylimidazoles KCNH1, HCN4, KCNH2 KMT2A 3010/4885MEN1 4835/4885HTT 4159/4885

“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.