SCHEMBL2226085

SCHEMBL2226085

COc1ccc(CNC(=O)CI)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.59
POLB P06746 1/20 0.58
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
ALDH1A1 P00352 4/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL10915036 0.87 CNR1 (0.61) APLNRPOLBCNR1CNR2ALDH1A1
SCHEMBL15682861 0.86 APLNR (0.56) APLNRPOLBCNR1CNR2ALDH1A1
SCHEMBL2223385 0.85 ALDH1A1 (0.59) APLNRPOLBCNR1CNR2ALDH1A1
SCHEMBL29209631 0.85 APLNR (0.59) APLNRPOLBCNR1CNR2ALDH1A1
SCHEMBL24499498 0.85 APLNR (0.59) APLNRPOLBCNR1CNR2ALDH1A1
SCHEMBL18415441 0.84 TAS1R3 (0.67) APLNRPOLBCNR1CNR2ALDH1A1
SCHEMBL2261220 0.83 APLNR (0.65) APLNRPOLBCNR1CNR2ALDH1A1
SCHEMBL10141758 0.83 APLNR (0.65) APLNRPOLBCNR1CNR2ALDH1A1
SCHEMBL23139885 0.83 ALDH1A1 (0.61) APLNRPOLBCNR1CNR2ALDH1A1
SCHEMBL3361891 0.82 APLNR (0.63) APLNRPOLBCNR1CNR2ALDH1A1

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 APLNR 3929/4885POLB 660/4885CNR1 159/4885

“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.