SCHEMBL5773822

SCHEMBL5773822

Fc1cccc2[nH]c(CCN3CCNCC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.45
SLC40A1 Q9NP59 5/20 0.44
CHRNA7 P36544 1/20 0.43
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.42
KCNH2 Q12809 2/20 0.42
SLC6A3 Q01959 1/20 0.42
DRD4 P21917 2/20 0.41
SIGMAR1 Q99720 1/20 0.38
ATR Q13535 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5775830 0.82 SLC40A1 (0.47) SLC40A1CHRNA7DRD4ALDH1A1KDM4E
SCHEMBL5657093 0.80 CHRNA7 (0.47) SLC40A1CHRNA7DRD4
SCHEMBL5656451 0.75 KDM4E (0.53) SLC40A1ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL22075724 0.74 SLC40A1 (0.40) SLC40A1SMN1; SMN2
SCHEMBL5772777 0.74 SLC6A4 (0.54) CHRNA7SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL5773886 0.71 SLC40A1 (0.43) SLC40A1CHRNA7ALDH1A1KDM4E
SCHEMBL7481575 0.71 HTR6 (0.47) HTR6CHRNA7DRD4
SCHEMBL5744116 0.70 EGLN1 (0.42) SLC40A1SMN1; SMN2
SCHEMBL17308357 0.70 DDAH1 (0.53) HTR6SLC40A1ALDH1A1SMN1; SMN2
SCHEMBL4270442 0.70 EGLN1 (0.42) SLC40A1SMN1; SMN2

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 HTR6 3013/4885SLC40A1 586/4885CHRNA7 4798/4885

“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.