SCHEMBL4915658

SCHEMBL4915658

CSCc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cnc(Cl)c(CO)c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.79
CNR1 P21554 2/20 0.33
CYP11B2 P19099 2/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
CYP11B1 P15538 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
FNTA P49354 3/20 0.32
FNTB P49356 3/20 0.32

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
SCHEMBL14114850 0.92 AR (0.87) ARCNR1CYP11B2PDE9APDE1C
SCHEMBL4914410 0.90 AR (0.84) ARCNR1CYP11B2PDE9APDE1C
SCHEMBL4921936 0.89 AR (1.00) ARCNR1CYP11B2PDE9APDE1C
SCHEMBL4920911 0.88 AR (0.81) ARCNR1CYP11B2PDE9APDE1C
SCHEMBL4918560 0.88 AR (0.79) ARCNR1CYP11B2PDE9APDE1C
SCHEMBL4914130 0.88 AR (0.79) ARCNR1FNTAFNTB
SCHEMBL4918903 0.87 AR (0.82) ARCNR1CYP11B2PDE9APDE1C
SCHEMBL14114848 0.86 AR (0.77) ARCNR1PDE9APDE1CPTGDR2
SCHEMBL4918792 0.86 AR (0.77) ARCNR1CYP11B2GRIA2GRIA4
SCHEMBL4920887 0.85 AR (0.75) ARCNR1CYP11B2GRIA2GRIA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 WO 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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R AR 1/4885CNR1 59/4885CYP11B2 81/4885

“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.