SCHEMBL5773886

SCHEMBL5773886

O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(CCc2nc3c(F)cccc3[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 5/20 0.43
PARP1 P09874 3/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
OPRD1 P41143 1/20 0.36
GRIN2B Q13224 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.35
HTR4 Q13639 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5779341 0.83 PARP1 (0.47) SLC40A1PARP1ALDH1A1GRIN2BCHRNA7
SCHEMBL5775830 0.80 SLC40A1 (0.47) SLC40A1PARP1ALDH1A1KDM4ECHRNA7
SCHEMBL15160678 0.75 KMT2A (0.48) ALDH1A1KDM4EPOLBOPRD1
SCHEMBL13327274 0.73 POLB (0.52) ALDH1A1POLBALOX15
SCHEMBL22397770 0.73 POLB (0.52) ALDH1A1POLBALOX15
SCHEMBL4717949 0.73 KMT2A (0.46) POLB
SCHEMBL5656451 0.73 KDM4E (0.53) SLC40A1ALDH1A1KDM4EPOLBALOX15
SCHEMBL5773822 0.71 HTR6 (0.45) SLC40A1ALDH1A1KDM4ECHRNA7
SCHEMBL5776558 0.70 HRH1 (0.45) ALDH1A1POLBOPRD1
SCHEMBL25330425 0.70 POLB (0.50) ALDH1A1POLBALOX15

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 4 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 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 SLC40A1 586/4885PARP1 1993/4885ALDH1A1 1678/4885

“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.