SCHEMBL5774709

SCHEMBL5774709

O=C(CN1CCN(C(=O)O)CC1)c1cnc2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTR1A P08908 8/20 0.49
FAAH O00519 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 1/20 0.44
DRD4 P21917 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DPP4 P27487 1/20 0.43

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
SCHEMBL5774764 0.76 FAAH (0.60) PTK2HTR1AFAAHDRD4NPC1
SCHEMBL5776029 0.74 FAAH (0.46) PTK2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5318658 0.73 NPC1 (0.68) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3605056 0.71 FAAH (0.74) FAAH
SCHEMBL12647223 0.70 ALDH1A1 (0.62) PTK2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL12522917 0.70 ALDH1A1 (0.62) PTK2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5777529 0.70 ALDH1A1 (0.62) PTK2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL354679 0.69 ALDH1A1 (1.00) PTK2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29623278 0.69 ALDH1A1 (1.00) PTK2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25171674 0.69 HDAC4 (0.49) PTK2ALDH1A1HPGDALOX15HSD17B10

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 6 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-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 PTK2 3661/4885ALDH1A1 1678/4885HPGD 122/4885

“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.