SCHEMBL6468987

SCHEMBL6468987

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
BCHE P06276 1/20 0.46
VNN1 O95497 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ATM Q13315 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADRB3 P13945 4/20 0.44
ADRB2 P07550 3/20 0.44

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
SCHEMBL5131614 0.87 OPRK1 (0.53) KMT2ASMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL6471110 0.86 DPP4 (0.53) OPRM1OPRD1OPRK1BCHEVNN1
SCHEMBL6469026 0.86 DPP4 (0.53) OPRM1OPRD1OPRK1BCHEVNN1
SCHEMBL5042774 0.83 TMEM97 (0.57) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6468992 0.82 MEN1 (0.58) MEN1KMT2AHTTSMN1; SMN2BCHE
SCHEMBL5133518 0.82 DPP4 (0.44) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL5132091 0.81 DPP4 (0.43) MEN1KMT2ASMN1; SMN2OPRM1OPRD1
SCHEMBL5037246 0.80 DPP4 (0.43) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6470792 0.80 KDM4E (0.45) MEN1KMT2AHTTSMN1; SMN2OPRM1
SCHEMBL5132970 0.80 DPP4 (0.43) MEN1KMT2AHTTSMN1; SMN2OPRM1

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.