SCHEMBL6715173

SCHEMBL6715173

CC(=O)NCCN1C(=O)CCc2c[c]ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 3/20 0.43
MTNR1B P49286 2/20 0.43
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
CHRM1 P11229 3/20 0.36
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
DRD3 P35462 4/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
ATAD2 Q6PL18 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL6231492 0.90 MEN1 (0.44) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL6238530 0.80 NOTUM (0.40) MEN1KMT2AMAPTTP53HDAC1
SCHEMBL6235136 0.80 ALDH1A1 (0.38) MAPTTP53HDAC1HDAC8HDAC6
SCHEMBL11195613 0.79 DRD2 (0.47) HDAC1HDAC8HDAC6CHRM1DRD2
SCHEMBL6720083 0.79 CYP3A4 (0.46) MEN1KMT2AMTNR1AMAPTTP53
SCHEMBL6714706 0.78 LMNA (0.43) MEN1KMT2AMAPTTP53HDAC1
SCHEMBL8553992 0.78 ATAD2 (0.55) GAAHDAC1HDAC8HDAC6CHRM1
SCHEMBL6721735 0.77 MTNR1A (0.46) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL6233920 0.76 MAPT (0.38) MEN1KMT2AMAPTTP53HDAC1
SCHEMBL5773085 0.75 CYP3A4 (0.44) MEN1KMT2AMTNR1AMTNR1BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US claimed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (2 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN MEN1 4236/4885KMT2A 3763/4885MTNR1A 2822/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 MEN1 4599/4885KMT2A 4042/4885MTNR1A 3189/4885

“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.