SCHEMBL3597315

SCHEMBL3597315

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3F)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.36
PDE4B Q07343 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
HRH2 P25021 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NTSR1 P30989 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL3594534 0.95 GPR6 (0.35) GPR6SIGMAR1MAPTHRH2SLC22A12
SCHEMBL3601754 0.94 SLC22A12 (0.37) GPR6SIGMAR1PTGDR2HRH2SLC22A12
SCHEMBL3597969 0.93 SLC22A12 (0.42) GPR6SIGMAR1PTGDR2HRH2SLC22A12
SCHEMBL3596047 0.93 SIGMAR1 (0.40) GPR6SIGMAR1HRH2
SCHEMBL14160158 0.93 GPR6 (0.35) GPR6PDE4BMAPTPOLB
SCHEMBL3591151 0.93 SLC22A12 (0.35) GPR6SIGMAR1HRH2SLC22A12KDM4E
SCHEMBL3588625 0.92 HRH2 (0.37) GPR6PDE4BSIGMAR1PTGDR2POLB
SCHEMBL3589014 0.91 HRH2 (0.38) GPR6HRH2
SCHEMBL3597402 0.91 HRH2 (0.36) PDE4BSIGMAR1PTGDR2MAPTPOLB
SCHEMBL3598918 0.90 GPBAR1 (0.36) GPR6PTGDR2

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
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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 GPR6 154/4885PDE4B 1999/4885SIGMAR1 588/4885

“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.