SCHEMBL4888686

SCHEMBL4888686

COc1cccc(C(C)(C)CCCCC(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.47
CNR1 P21554 8/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CACNA1B Q00975 3/20 0.42
ALOX5 P09917 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL4884889 0.83 CNR1 (0.41) CNR2CNR1ALOX5
SCHEMBL25968340 0.78 CNR2 (0.55) CNR2CNR1ACHE
SCHEMBL14025162 0.76 CNR2 (0.68) CNR2CNR1
SCHEMBL3537531 0.76 CNR1 (0.44) CNR2CNR1MTNR1B
SCHEMBL5646550 0.76 CNR2 (0.60) CNR2CNR1ACHE
SCHEMBL4881858 0.76 CES2 (0.53) BCHEACHE
SCHEMBL15995315 0.74 CNR2 (0.49) CNR2CNR1
SCHEMBL9816389 0.74 ALDH1A1 (0.39) CNR2CNR1
SCHEMBL4888766 0.73 CNR1 (0.46) CNR2CNR1
SCHEMBL5644608 0.73 CNR1 (0.52) CNR2CNR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262011-A1 Modulator UCL BIOMEDICA PLC (GB) 2008-10-23 US disclosed
US-20080262011-A1 Modulator UCL BIOMEDICA PLC (GB) 2008-10-23 US disclosed
US-20080262011-A1 Modulator UCL BIOMEDICA PLC (GB) 2008-10-23 US disclosed
EP-1853538-A2 MODULATOR UCL Biomedica plc (GB) 2007-11-14 EP disclosed
WO-2006067450-A2 MODULATOR UCL BIOMEDICA PLC (GB) 2006-06-29 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-20080262011-A1 Modulator CHRNA10, CNR1, CHRNA9 CNR2 12/4885CNR1 2/4885BCHE 578/4885

“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.