SCHEMBL3594150

SCHEMBL3594150

COc1ccccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
GPR6 P46095 4/20 0.37
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
NSD2 O96028 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNG7 P62955 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1D Q01668 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 0.91 SIGMAR1 (0.40) HRH3GPR6SMN1; SMN2MAOAMAOB
SCHEMBL3592187 0.90 BCHE (0.38) HRH3GPR6SMN1; SMN2ACHECHRM2
SCHEMBL3583725 0.89 HRH3 (0.37) HRH3GPR6ACHEMAOAMAOB
SCHEMBL3601137 0.89 GPR6 (0.35) HRH3GPR6ACHECHRM2CHRM1
SCHEMBL13282345 0.88 SIGMAR1 (0.37) HRH3GPR6MAOAMAOBCHRM2
SCHEMBL3588625 0.88 HRH2 (0.37) GPR6ACHE
SCHEMBL3589014 0.88 HRH2 (0.38) GPR6
SCHEMBL3591504 0.88 HRH3 (0.36) HRH3GPR6ACHECHRM2CHRM1
SCHEMBL3599076 0.87 USP14 (0.36) HRH3GPR6SMN1; SMN2ACHECHRM2
SCHEMBL4717092 0.87 SIGMAR1 (0.39) HRH3GPR6SMN1; SMN2CHRM2CHRM1

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 HRH3 832/4885GPR6 154/4885NR3C1 1/4885

“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.