SCHEMBL5776348

SCHEMBL5776348

O=C(O)N1CCN(CCc2ccc3nsnc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
KCNJ1 P48048 4/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
MAPK1 P28482 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5658269 0.82 S1PR1 (0.46) KCNH2KCNJ1KMT2ATHRBKDM4E
SCHEMBL2731338 0.82 KCNH2 (0.76) KCNH2KCNJ1MEN1KMT2AALDH1A1
SCHEMBL17444603 0.76 KCNH2 (0.52) KCNH2MEN1KMT2AMAPTHTR1A
SCHEMBL16795428 0.74 KCNH2 (0.56) KCNH2KCNJ1MEN1KMT2ASIGMAR1
SCHEMBL5487639 0.74 HRH3 (0.66) KCNH2MEN1KMT2ASIGMAR1NPC1
SCHEMBL2927709 0.74 MEN1 (0.73) KCNH2MEN1KMT2ASIGMAR1HTR1A
SCHEMBL27544651 0.73 THRB (0.64) KCNH2MEN1KMT2ATHRBLMNA
SCHEMBL2548210 0.73 KCNH2 (0.57) KCNH2KCNJ1MEN1KMT2AHTR1A
SCHEMBL29251140 0.72 LMNA (0.57) KCNH2KCNJ1MEN1KMT2ATHRB
SCHEMBL5774489 0.72 TSHR (0.57) KMT2AKDM4EALDH1A1MAPTMAPK1

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 5 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
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 KCNH2 2919/4885KCNJ1 3339/4885MEN1 4325/4885

“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.