SCHEMBL6235824

SCHEMBL6235824

CC(C)(C)OC(=O)c1cccc2cc(CBr)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PTPN1 P18031 2/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
TBXAS1 P24557 1/20 0.38
DHODH Q02127 2/20 0.37
AR P10275 1/20 0.37
SLC7A5 Q01650 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
BACE1 P56817 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
NR1H2 P55055 1/20 0.36
CDC25B P30305 1/20 0.35
AKT1 P31749 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6304064 0.89 NQO2 (0.39) CYP4F2CYP4A11PTPN1ADRB2ADRB1
SCHEMBL275086 0.85 DHODH (0.48) CYP4F2CYP4A11PTPN1DHODHGAA
SCHEMBL6937832 0.79 GABRG2 (0.42) PTPN1ADRB2ADRB1ADRB3AR
SCHEMBL974720 0.78 NR4A1 (0.53) PTPN1ADRB2ADRB1ADRB3POLB
SCHEMBL1204440 0.77 KDM4E (0.56) ADRB2ADRB1ADRB3ARPOLB
SCHEMBL31395544 0.76 KDM4E (0.54) ADRB2ADRB1ADRB3ARPOLB
SCHEMBL1179585 0.76 CYP4F2 (0.49) CYP4F2CYP4A11ARSLC7A5GAA
SCHEMBL14860162 0.76 CYP4F2 (0.46) CYP4F2CYP4A11ADRB2ADRB1ADRB3
SCHEMBL28428155 0.76 CYP4F2 (0.42) CYP4F2CYP4A11SLC7A5NR1H2AKT1
SCHEMBL18280658 0.75 CYP4F2 (0.45) CYP4F2CYP4A11SLC7A5KMT2ANR1H2

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
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO 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 (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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN CYP4F2 2359/4885CYP4A11 3001/4885PTPN1 2526/4885

“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.