SCHEMBL5774489

SCHEMBL5774489

O=C(O)N1CCN(CCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
FAAH O00519 2/20 0.57
KMT2A Q03164 1/20 0.57
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
FABP1 P07148 1/20 0.52
FABP6 P51161 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL5774801 0.92 FAAH (0.57) TSHRFAAHKMT2AADRA1DADRA1A
SCHEMBL20689718 0.87 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL2853078 0.86 KMT2A (0.70) TSHRFAAHKMT2AALDH1A1KDM4E
SCHEMBL17444665 0.82 KMT2A (0.57) KMT2AALDH1A1KDM4ETDP1FABP1
SCHEMBL5656040 0.82 MEN1 (0.53) KMT2AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL14003880 0.81 ADRA1D (0.63) TSHRADRA1DADRA1AADRA1B
SCHEMBL11698547 0.81 DPP7 (0.67) ADRA1DADRA1AADRA1BALDH1A1TRPV1
SCHEMBL5750195 0.81 ADRA1D (0.48) TSHRFAAHKMT2AADRA1DADRA1A
SCHEMBL11261146 0.80 DPP7 (0.65) KMT2AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5750668 0.80 ADRA1D (0.50) TSHRFAAHKMT2AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP claimed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US claimed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP claimed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 WO claimed
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP disclosed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 WO 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-20040077655-A1 Piperazine derivatives for treatment of bacterial infections MYD88, THPO, PIGO TSHR 2899/4885FAAH 2541/4885KMT2A 4575/4885

“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.