SCHEMBL2277377

SCHEMBL2277377

CC(C)(C)OC(=O)N1CCC[C@H](Nc2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.49
BCHE P06276 2/20 0.49
MET P08581 1/20 0.45
USP30 Q70CQ3 3/20 0.41
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
BTK Q06187 2/20 0.39
SFRP1 Q8N474 4/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
WNT3 P56703 2/20 0.38
HPGDS O60760 1/20 0.38
BRD4 O60885 1/20 0.38
GABRA5 P31644 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL9958762 1.00 HTR6 (0.49) HTR6BCHEMETUSP30MMP1
SCHEMBL2278046 1.00 HTR6 (0.49) HTR6BCHEMETUSP30MMP1
SCHEMBL2280321 0.98 HTR6 (0.47) HTR6BCHEMETUSP30MMP1
SCHEMBL30480383 0.95 HTR6 (0.47) HTR6BCHEMETUSP30MMP1
SCHEMBL2283395 0.95 HTR6 (0.47) HTR6BCHEMETUSP30MMP1
SCHEMBL2276066 0.93 MET (0.46) HTR6BCHEMETUSP30MMP1
SCHEMBL2275115 0.92 HTR6 (0.49) HTR6BCHEMETUSP30SFRP1
SCHEMBL29711926 0.89 MET (0.44) HTR6BCHEMETMMP1MMP9
SCHEMBL30480458 0.88 MET (0.42) HTR6BCHEMETUSP30SFRP1
SCHEMBL2279609 0.88 HTR6 (0.52) HTR6BCHEUSP30BTKSFRP1

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 HTR6 3644/4885BCHE 2929/4885MET 2642/4885

“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.