SCHEMBL9933603

SCHEMBL9933603

CC(C)(C)OC(=O)N1CC=C(c2ccc(F)c3occc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.51
GRM1 Q13255 11/20 0.50
GRM5 P41594 10/20 0.50
HTR6 P50406 1/20 0.47
CNR1 P21554 2/20 0.45
EED O75530 2/20 0.45
RBBP4 Q09028 2/20 0.45
SUZ12 Q15022 2/20 0.45
EZH2 Q15910 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
JAK1 P23458 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL26650792 0.85 PDK4 (0.48) PDK4GRM1GRM5HTR6CNR1
SCHEMBL30088583 0.85 PDK4 (0.48) PDK4GRM1GRM5HTR6CNR1
SCHEMBL19297151 0.84 PDK4 (0.61) PDK4GRM1GRM5HTR6CNR1
SCHEMBL19297056 0.79 DGAT2 (0.59) PDK4GRM1GRM5HTR6CNR1
SCHEMBL31342210 0.78 CNR1 (0.55) PDK4GRM1GRM5HTR6CNR1
SCHEMBL15556190 0.78 CNR1 (0.55) PDK4GRM1GRM5HTR6CNR1
SCHEMBL14611474 0.78 PDK4 (0.56) PDK4GRM1GRM5HTR6CNR1
SCHEMBL13993112 0.78 GRM1 (0.57) PDK4GRM1GRM5HTR6CNR1
SCHEMBL2476516 0.78 PDK4 (0.56) PDK4GRM1GRM5HTR6CNR1
SCHEMBL13993111 0.78 GRM1 (0.57) PDK4GRM1GRM5HTR6CNR1

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-8877778-B2 Benzofurane compounds HOFFMANN-LA ROCHE INC. (US) 2014-11-04 US disclosed
EP-2651929-A1 NOVEL BENZOFURANE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
US-20120157449-A1 BENZOFURANE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-21 US disclosed
WO-2012080149-A1 NOVEL BENZOFURANE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 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-20120157449-A1 BENZOFURANE COMPOUNDS HTR3A, HTR3C, HTR2A PDK4 1272/4885GRM1 559/4885GRM5 470/4885

“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.