SCHEMBL3585685

SCHEMBL3585685

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
HRH2 P25021 4/20 0.38
GPR6 P46095 10/20 0.37
GAA P10253 1/20 0.37
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL3596047 0.94 SIGMAR1 (0.40) HRH2GPR6SIGMAR1
SCHEMBL3588625 0.94 HRH2 (0.37) KMT2AHRH2GPR6SIGMAR1
SCHEMBL3599682 0.94 CHRM4 (0.36) KMT2AHRH2GPR6SIGMAR1
SCHEMBL3589171 0.94 ALDH1A1 (0.36) HRH2GPR6SIGMAR1
SCHEMBL3589014 0.94 HRH2 (0.38) HRH2GPR6
SCHEMBL3588718 0.93 SIGMAR1 (0.35) HRH2GPR6SIGMAR1
SCHEMBL16327012 0.93 KMT2A (0.37) KMT2AHRH2GPR6GAANR3C1
SCHEMBL3593372 0.91 MEN1 (0.40) KMT2AHRH2SIGMAR1
SCHEMBL3593937 0.91 KDM1A (0.37) HRH2GPR6SIGMAR1
SCHEMBL3586599 0.91 PRKAA2 (0.38) HRH2GPR6SIGMAR1

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 KMT2A 4721/4885HRH2 1095/4885GPR6 154/4885

“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.