SCHEMBL3590146

SCHEMBL3590146

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.36
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
CTSS P25774 3/20 0.33
ERBB2 P04626 1/20 0.33
CCR5 P51681 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PRKAA2 P54646 1/20 0.33
UTS2R Q9UKP6 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
USP14 P54578 1/20 0.32

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
SCHEMBL16327043 0.92 PTGDR2 (0.35) GPR6PTGDR2SIGMAR1PRKAA2UTS2R
SCHEMBL3592175 0.92 SIGMAR1 (0.35) GPR6PTGDR2CTSSSIGMAR1PRKAA2
SCHEMBL3598918 0.92 GPBAR1 (0.36) GPR6PTGDR2PRKAA2GPBAR1USP14
SCHEMBL3588625 0.91 HRH2 (0.37) GPR6PTGDR2SIGMAR1UTS2RGPBAR1
SCHEMBL3599177 0.91 PTGDR2 (0.34) GPR6PTGDR2SIGMAR1PRKAA2UTS2R
SCHEMBL3594505 0.90 PDE4A (0.35) GPR6PTGDR2SIGMAR1PRKAA2GPBAR1
SCHEMBL3597848 0.90 CNR2 (0.36) GPR6PTGDR2GPBAR1
SCHEMBL3588550 0.90 USP14 (0.36) PTGDR2SIGMAR1PRKAA2GPBAR1USP14
SCHEMBL3596047 0.90 SIGMAR1 (0.40) GPR6SIGMAR1PRKAA2
SCHEMBL3596147 0.89 USP14 (0.37) GPR6PTGDR2SIGMAR1PRKAA2UTS2R

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 3 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

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 154/4885CCNT1 1929/4885CDK9 1232/4885

“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.