SCHEMBL3596047

SCHEMBL3596047

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
GPR6 P46095 3/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM4 P08173 1/20 0.35
HRH2 P25021 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PRKAA2 P54646 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL4717092 0.96 SIGMAR1 (0.39) SIGMAR1HRH3GPR6CHRM2CHRM1
SCHEMBL3588625 0.96 HRH2 (0.37) SIGMAR1GPR6HRH2HTR2AHTR2C
SCHEMBL3589014 0.95 HRH2 (0.38) GPR6HRH2PRKAA2
SCHEMBL16327052 0.95 SIGMAR1 (0.39) SIGMAR1HRH3GPR6CHRM2CHRM1
SCHEMBL3593937 0.95 KDM1A (0.37) SIGMAR1GPR6HRH2PRKAA2MAOA
SCHEMBL3586599 0.95 PRKAA2 (0.38) SIGMAR1HRH3GPR6HRH2PRKAA2
SCHEMBL3587512 0.95 GPR6 (0.36) SIGMAR1GPR6HRH2PRKAA2MAOA
SCHEMBL3588718 0.95 SIGMAR1 (0.35) SIGMAR1GPR6HRH2LMNAMAOA
SCHEMBL3585685 0.94 KMT2A (0.41) SIGMAR1GPR6HRH2
SCHEMBL3589171 0.94 ALDH1A1 (0.36) SIGMAR1GPR6HRH2LMNASMN1; SMN2

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 588/4885HRH3 832/4885GPR6 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.