SCHEMBL3211463

SCHEMBL3211463

NC1CCN(c2cn(S(=O)(=O)c3cccnc3)c3cccnc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HTR6 P50406 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIM1 P11309 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 2/20 0.37
CHRM5 P08912 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM1 P11229 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
NAPRT Q6XQN6 1/20 0.35

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
SCHEMBL3213827 0.90 HTR6 (0.49) HTR6CYP3A4CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL3612952 0.85 HTR6 (0.48) HTR6
SCHEMBL3215958 0.85 HTR6 (0.47) HTR6
SCHEMBL7948344 0.85 HTR6 (0.38) HTR6
SCHEMBL3202680 0.83 HTR6 (0.43) HTR6ALDH1A1
SCHEMBL3214748 0.83 HSD11B1 (0.48) KDM4EHTR6HTT
SCHEMBL3795831 0.82 MET (0.39) HTR6
SCHEMBL3227657 0.80 HTR6 (0.43) HTR6PIM1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3211299 0.80 SLC40A1 (0.43) HTR6
SCHEMBL3218478 0.79 POLB (0.46) KDM4EHTR6CYP3A4CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US claimed
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 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-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B KDM4E 2313/4885HTR6 1/4885CYP3A4 676/4885

“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.