SCHEMBL6235136

SCHEMBL6235136

CC(=O)OCCN1C(=O)CCc2c[c]ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
ATAD2 Q6PL18 1/20 0.37
DRD2 P14416 9/20 0.36
DRD4 P21917 9/20 0.36
DRD3 P35462 9/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SLC18A3 Q16572 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
BRD4 O60885 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
SCHEMBL6233572 0.90 ALDH1A1 (0.38) ALDH1A1ATAD2DRD2DRD4DRD3
SCHEMBL5393583 0.83 DRD2 (0.52) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL8553992 0.81 ATAD2 (0.55) ALDH1A1ATAD2DRD2DRD4DRD3
SCHEMBL6712978 0.80 DRD2 (0.43) ALDH1A1DRD2DRD4DRD3CHRM2
SCHEMBL6715173 0.80 MEN1 (0.47) ATAD2DRD2DRD4DRD3CHRM2
SCHEMBL6238530 0.80 NOTUM (0.40) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL11195613 0.79 DRD2 (0.47) ATAD2DRD2DRD4DRD3CHRM2
SCHEMBL6232182 0.79 LMNA (0.47) ALDH1A1MAPT
SCHEMBL6713240 0.79 CHRM2 (0.39) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6714706 0.78 LMNA (0.43) ALDH1A1TP53MAPTHDAC1HDAC8

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 ALDH1A1 921/4885ATAD2 363/4885DRD2 830/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 ALDH1A1 1486/4885ATAD2 611/4885DRD2 2820/4885

“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.