SCHEMBL3603865

SCHEMBL3603865

CCOC(=O)C(C)(C)Oc1ccccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
ALOX5 P09917 1/20 0.34
MAOA P21397 1/20 0.34
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
ABCB1 P08183 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL3595992 0.93 ACHE (0.36) BCHEACHEALOX5MAOA
SCHEMBL3598051 0.89 ALDH1A1 (0.37) BCHEACHEALOX5MAOAPGR
SCHEMBL3591478 0.88 CCR5 (0.36) PGRCHRM2ABCB1HTR1AADRA2A
SCHEMBL3587915 0.88 MAPK1 (0.41) PGRCHRM2ABCB1HTR1AADRA2A
SCHEMBL4717091 0.87 ACHE (0.35) BCHEACHEALOX5MAOAPGR
SCHEMBL3595245 0.87 SIGMAR1 (0.33) BCHEACHEALOX5MAOAPGR
SCHEMBL16327042 0.86 HRH2 (0.36) BCHEACHEALOX5MAOACCR5
SCHEMBL4717089 0.86 ACHE (0.35) BCHEACHEALOX5MAOAPGR
SCHEMBL3592312 0.86 MAPT (0.37) BCHEPGRCHRM2ABCB1HTR1A
SCHEMBL13254351 0.86 ACHE (0.37) BCHEACHEALOX5MAOAKCNH2

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 FBP1 2830/4885BCHE 3002/4885ACHE 3194/4885

“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.