SCHEMBL3588718

SCHEMBL3588718

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3cccc(Cl)c3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HRH2 P25021 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GPR6 P46095 5/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
POLB P06746 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 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 0.95 SIGMAR1 (0.40) SIGMAR1HRH2LMNAGPR6MAOA
SCHEMBL3587512 0.94 GPR6 (0.36) SIGMAR1PTGDR2HRH2GPR6MAOA
SCHEMBL3588625 0.94 HRH2 (0.37) SIGMAR1PTGDR2HRH2GPR6UTS2R
SCHEMBL3589171 0.93 ALDH1A1 (0.36) SIGMAR1HRH2ALDH1A1LMNAGPR6
SCHEMBL3599682 0.93 CHRM4 (0.36) SIGMAR1HRH2ALDH1A1GPR6UTS2R
SCHEMBL3585685 0.93 KMT2A (0.41) SIGMAR1HRH2GPR6
SCHEMBL14160159 0.93 MAOA (0.34) SIGMAR1HRH2GPR6MAOAMAOB
SCHEMBL3593937 0.92 KDM1A (0.37) SIGMAR1HRH2GPR6MAOAMAOB
SCHEMBL3586599 0.92 PRKAA2 (0.38) SIGMAR1HRH2GPR6MAOAMAOB
SCHEMBL3589014 0.92 HRH2 (0.38) HRH2GPR6

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 SIGMAR1 588/4885PTGDR2 1785/4885HRH2 1095/4885

“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.