SCHEMBL5585299

SCHEMBL5585299

CC(C)(C)OC(=O)N1CCN(CCOc2ncccc2OCCO)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.55
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
EPHX2 P34913 4/20 0.46
ABCB1 P08183 1/20 0.44
DTYMK P23919 1/20 0.44
ACKR3 P25106 2/20 0.43
GPR4 P46093 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
KCNA5 P22460 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL5585295 0.79 KDM4E (0.52) POLBKDM4EALDH1A1KMT2ALMNA
SCHEMBL16676642 0.79 RXFP1 (0.61) POLBRXFP1EPHX2ABCB1ACKR3
SCHEMBL2157285 0.78 KDM4E (0.55) SQORRXFP1EPHX2ABCB1ACKR3
SCHEMBL16674535 0.77 RXFP1 (0.56) POLBRXFP1EPHX2ABCB1ACKR3
SCHEMBL12211026 0.76 CHRM4 (0.50) SQORPOLBEPHX2KDM4ECHRM2
SCHEMBL27390612 0.75 RXFP1 (0.52) SQORRXFP1EPHX2ABCB1ACKR3
SCHEMBL30824828 0.75 RXFP1 (0.52) SQORRXFP1EPHX2ABCB1ACKR3
SCHEMBL18135536 0.75 KCNA5 (0.64) EPHX2ALDH1A1KMT2ACHRM3KCNA5
SCHEMBL22215839 0.75 SQOR (0.83) SQORPOLBRXFP1EPHX2ACKR3
SCHEMBL4003917 0.74 GPR119 (0.48) POLBALDH1A1GPR119LMNA

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
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 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-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A SQOR 547/4885POLB 3944/4885RXFP1 585/4885

“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.