SCHEMBL6468992

SCHEMBL6468992

COc1ccc(CNC(C)CCc2ccc(N)nc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BCHE P06276 1/20 0.51
ADRB3 P13945 4/20 0.46
ADRB2 P07550 3/20 0.46
ADRB1 P08588 1/20 0.46
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5131617 0.85 BCHE (0.58) MEN1KMT2ASMN1; SMN2BCHEGAA
SCHEMBL6469030 0.84 KCNH2 (0.56) MEN1KMT2ABCHEGAAATM
SCHEMBL6471113 0.84 TMEM97 (0.44) MEN1KMT2ABCHEGAAATM
SCHEMBL6468987 0.82 MEN1 (0.53) MEN1KMT2AHTTSMN1; SMN2BCHE
SCHEMBL5042778 0.81 TMEM97 (0.63) MEN1KMT2ABCHEADRB2GAA
SCHEMBL5133519 0.79 CPB2 (0.40) MEN1KMT2AHTTSMN1; SMN2BCHE
SCHEMBL5132093 0.78 ADRB2 (0.41) MEN1KMT2AHTTSMN1; SMN2BCHE
SCHEMBL11824647 0.78 BCHE (0.74) MEN1KMT2AHTTSMN1; SMN2BCHE
SCHEMBL5037248 0.77 MEN1 (0.40) MEN1KMT2AHTTSMN1; SMN2BCHE
SCHEMBL6470796 0.77 HTT (0.43) MEN1KMT2AHTTSMN1; SMN2BCHE

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA MEN1 978/4885KMT2A 2085/4885HTT 6/4885

“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.