SCHEMBL4458406

SCHEMBL4458406

CCCCC1NC(=O)OC12CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PRKCA P17252 2/20 0.32
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11368873 0.84
SCHEMBL11226992 0.79 ALDH1A1 (0.35) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL17101519 0.74
SCHEMBL9858652 0.72
SCHEMBL11222717 0.70 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL24059764 0.69 ALDH1A1 (0.38) ALDH1A1HPGD
SCHEMBL20395854 0.68 GNAI3 (0.30)
SCHEMBL20942461 0.68 NEK2 (0.31)
SCHEMBL17101501 0.66 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL22653277 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 US disclosed
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 US disclosed
EP-1716156-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 EP disclosed
WO-2005075484-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-18 WO disclosed
US-20050176703-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2005-08-11 US 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-20080139544-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 MEN1 4861/4885KMT2A 4756/4885ALDH1A1 481/4885
US-20050176703-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 MEN1 4861/4885KMT2A 4756/4885ALDH1A1 481/4885

“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.