SCHEMBL6238530

SCHEMBL6238530

COC(=O)CCN1C(=O)CCc2c[c]ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
DRD2 P14416 6/20 0.38
DRD4 P21917 6/20 0.38
DRD3 P35462 6/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL6234100 0.90 NOTUM (0.40) NOTUMDRD2DRD4DRD3MAPK8
SCHEMBL6714706 0.88 LMNA (0.43) MAPK8MAPK9MAPK10HPGDHDAC1
SCHEMBL6712978 0.80 DRD2 (0.43) DRD2DRD4DRD3HPGDHTT
SCHEMBL6715173 0.80 MEN1 (0.47) DRD2DRD4DRD3HDAC1HDAC8
SCHEMBL6235136 0.80 ALDH1A1 (0.38) DRD2DRD4DRD3HDAC1HDAC8
SCHEMBL11195613 0.79 DRD2 (0.47) DRD2DRD4DRD3HDAC1HDAC8
SCHEMBL6232182 0.79 LMNA (0.47) HTTMEN1KMT2AMAPT
SCHEMBL6719956 0.79 REN (0.46) NOTUMCHRM1CHRM2CHRM4CHRM3
SCHEMBL6720008 0.78 LMNA (0.43) MAPK8MAPK9MAPK10HPGDMEN1
SCHEMBL8553992 0.78 ATAD2 (0.55) DRD2DRD4DRD3HDAC1HDAC8

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-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
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
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 NOTUM 2570/4885DRD2 830/4885DRD4 1906/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 NOTUM 2361/4885DRD2 2820/4885DRD4 3854/4885

“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.