SCHEMBL4458368

SCHEMBL4458368

CCCCC1NC(=O)OC12CCN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.42
ENPP2 Q13822 2/20 0.42
ATXN2 Q99700 2/20 0.42
OPRK1 P41145 3/20 0.42
FAAH O00519 1/20 0.42
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 5/20 0.41
USP2 O75604 1/20 0.41
HTR1A P08908 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL11369993 0.87 MEN1 (0.50) CCR5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL11360802 0.81 MEN1 (0.50) CCR5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL13604579 0.80 CCR5 (0.44) CCR5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL13597265 0.76 SMN1; SMN2 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4461843 0.75 CCR5 (0.60) CCR5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL1488930 0.75 HTR2C (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL11361449 0.74 MEN1 (0.52) CCR5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL4465064 0.72 CCR5 (0.53) CCR5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL11368285 0.72 LMNA (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4134071 0.72 MEN1 (0.55) CCR5MEN1KMT2ANPSR1SMN1; SMN2

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 CCR5 1/4885MEN1 4861/4885KMT2A 4756/4885
US-20050176703-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 CCR5 1/4885MEN1 4861/4885KMT2A 4756/4885

“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.