SCHEMBL5750593

SCHEMBL5750593

COc1ccc2nccc(N3CCC4(CCN(CC(=O)c5ccc6c(c5)NC(=O)CO6)CC4)C3=O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.46
HTR1A P08908 1/20 0.46
HTR1B P28222 1/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 8/20 0.43
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 2/20 0.42
KCNH2 Q12809 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL5748163 0.85 KCNH2 (0.44) KCNH2
Oxalic Acid SCHEMBL5749364 0.84 KCNH2 (0.42) KCNH2
SCHEMBL7099789 0.81 HTR1D (0.47) HTR1DHTR1AHTR1BALDH1A1MAPT
SCHEMBL5776448 0.79 HTR1D (0.46) HTR1DHTR1AHTR1BALDH1A1MAPT
SCHEMBL5764977 0.78 HTR1D (0.53) HTR1DHTR1AHTR1BALDH1A1MAPT
SCHEMBL1223940 0.70 DRD2 (0.42) HTR1DHTR1AHTR1BKCNH2
SCHEMBL1223298 0.70 DRD2 (0.42) HTR1DHTR1AHTR1BKCNH2
SCHEMBL5746655 0.70 HRH3 (0.44) KCNH2
SCHEMBL6667019 0.69 KCNH2 (0.45) ALDH1A1KCNH2POLB
SCHEMBL3059498 0.69 MAPT (0.44) HTR1DHTR1AHTR1BALDH1A1MAPT

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-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 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-20040198756-A1 Medicaments PIGO, PSAP, CD68 HTR1D 3012/4885HTR1A 3591/4885HTR1B 4292/4885

“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.