SCHEMBL5485755

SCHEMBL5485755

OC1CCN(c2ncccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
CYP2C19 P33261 1/20 0.53
AOC3 Q16853 1/20 0.46
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
PDE10A Q9Y233 1/20 0.41
IDH2 P48735 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMO Q99835 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
SCHEMBL30743834 1.00 KDM4E (0.53) KDM4ECYP2C19AOC3ALDH1A1LMNA
SCHEMBL1874079 0.88 KDM4E (0.61) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL29593693 0.83 KDM4E (0.46) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL14689157 0.82 SCD (0.45) AOC3PDE10A
SCHEMBL3510673 0.80 CDK1 (0.46) AOC3PDE10AIDH2SMO
SCHEMBL24184396 0.79 AOC3 (0.49) KDM4EAOC3PDE10AIDH2
SCHEMBL2790748 0.79 AOC3 (0.52) AOC3PDE10AIDH2SMO
SCHEMBL24184102 0.79 AOC3 (0.49) KDM4EAOC3PDE10AIDH2
SCHEMBL2791898 0.79 AOC3 (0.52) AOC3PDE10AIDH2SMO
SCHEMBL2790751 0.79 AOC3 (0.52) AOC3PDE10AIDH2SMO

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190831-A1 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. 2024-06-13 US disclosed
WO-2023009585-A2 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2023-02-02 WO disclosed
WO-2023009585-A2 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2023-02-02 WO disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP 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 (2 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 KDM4E 1902/4885CYP2C19 3170/4885AOC3 969/4885
US-20240190831-A1 TRANSTHYRETIN STABILIZING COMPOUNDS TTR, TTPA, MTPN KDM4E 4726/4885CYP2C19 4571/4885AOC3 2926/4885

“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.