SCHEMBL6042429

SCHEMBL6042429

CCCCc1cc(COC2CN(C(=O)O)CCC2c2ccc(F)cc2)cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TACR1 P25103 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CCR5 P51681 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SLC18A2 Q05940 3/20 0.33
HTR2A P28223 2/20 0.33
SLC6A3 Q01959 2/20 0.33

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
SCHEMBL6042154 0.88 REN (0.39) RENHTR2A
SCHEMBL6042274 0.85 REN (0.38) RENTACR1
SCHEMBL6042512 0.85 REN (0.42) RENCCR5
SCHEMBL6044005 0.83 KDM2B (0.40) REN
SCHEMBL6041290 0.83 REN (0.39) REN
SCHEMBL6042767 0.82 REN (0.42) REN
SCHEMBL6042864 0.82 REN (0.45) REN
SCHEMBL6043496 0.81 REN (0.50) REN
SCHEMBL6043715 0.81 REN (0.38) RENTACR1CCR5HTR2A
SCHEMBL6042134 0.81 REN (0.39) RENHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 REN 1485/4885ESR1 2390/4885ESR2 696/4885

“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.