SCHEMBL3597969

SCHEMBL3597969

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3Cl)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.42
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
PDE5A O76074 2/20 0.34
EPHX2 P34913 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
GPR6 P46095 3/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 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
SCHEMBL3594534 0.94 GPR6 (0.35) SLC22A12SIGMAR1GPR6HRH2
SCHEMBL3596047 0.94 SIGMAR1 (0.40) SIGMAR1GPR6HRH2HTR2AHTR2C
SCHEMBL3601754 0.93 SLC22A12 (0.37) SLC22A12SIGMAR1PTGDR2EPHX2GPR6
SCHEMBL3597315 0.93 GPR6 (0.36) SLC22A12SIGMAR1PTGDR2GPR6HRH2
SCHEMBL16327046 0.93 POLB (0.36) SLC22A12S1PR1S1PR5SIGMAR1PDE5A
SCHEMBL3591151 0.92 SLC22A12 (0.35) SLC22A12SIGMAR1GPR6HRH2
SCHEMBL3587512 0.92 GPR6 (0.36) SIGMAR1PTGDR2PDE5AUTS2RGPR6
SCHEMBL3588625 0.91 HRH2 (0.37) SIGMAR1PTGDR2UTS2RGPR6HRH2
SCHEMBL3593937 0.91 KDM1A (0.37) SIGMAR1GPR6HRH2
SCHEMBL3586599 0.91 PRKAA2 (0.38) SIGMAR1GPR6HRH2

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 SLC22A12 3061/4885S1PR1 2162/4885S1PR5 2221/4885

“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.