SCHEMBL3604769

SCHEMBL3604769

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3cccnc3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
CHRM4 P08173 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PTGER2 P43116 1/20 0.34
QPCT Q16769 1/20 0.34
PRKAA2 P54646 1/20 0.33
ACHE P22303 1/20 0.33
HTR1A P08908 1/20 0.33
PDE5A O76074 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3596047 0.93 SIGMAR1 (0.40) GPR6CHRM4SIGMAR1PRKAA2
SCHEMBL13282450 0.93 QPCT (0.34) GPR6CHRM4PTGER2QPCTPRKAA2
SCHEMBL3596013 0.93 GPR6 (0.35) GPR6SIGMAR1PRKAA2
SCHEMBL3588625 0.92 HRH2 (0.37) GPR6PTGDR2SIGMAR1ACHEKMT2A
SCHEMBL3589171 0.90 ALDH1A1 (0.36) GPR6SIGMAR1
SCHEMBL3599682 0.90 CHRM4 (0.36) GPR6CHRM4SIGMAR1PRKAA2HTR1A
SCHEMBL3585685 0.90 KMT2A (0.41) GPR6SIGMAR1KMT2A
SCHEMBL3593937 0.90 KDM1A (0.37) GPR6SIGMAR1PRKAA2
SCHEMBL3587512 0.90 GPR6 (0.36) GPR6PTGDR2SIGMAR1PRKAA2PDE5A
SCHEMBL3586599 0.90 PRKAA2 (0.38) GPR6SIGMAR1PRKAA2

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 154/4885PTGDR2 1785/4885CHRM4 444/4885

“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.