SCHEMBL4858077

SCHEMBL4858077

O=C(c1ccc(F)c(F)c1)c1c(C(=O)N2CCC(c3cn(Cc4ccccc4)c4ccccc34)C2)ccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC2A1 P11166 1/20 0.45
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42
HRH2 P25021 5/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL4853409 0.89 SLC2A1 (0.50) MEN1KMT2ASLC2A1HTR2AHTR2C
SCHEMBL5201977 0.76 SLC2A1 (0.46) MEN1KMT2ASLC2A1DRD2HTR6
SCHEMBL5204484 0.73 SLC2A1 (0.47) SLC2A1HTR2AHTR2CHTR2BHRH2
SCHEMBL5201634 0.73 SLC2A1 (0.47) MEN1KMT2ASLC2A1HTR2AHTR2C
SCHEMBL5204138 0.73 MGLL (0.49) SLC2A1HTR6CYP1A2CYP2C9CYP2C19
SCHEMBL4860093 0.72 ALDH1A1 (0.45) KMT2ASLC2A1HTR6HRH2TPSAB1
SCHEMBL5206419 0.72 SMN1; SMN2 (0.49) MEN1KMT2ASLC2A1HTR2AHTR2C
SCHEMBL5206733 0.72 SCD5 (0.47) MEN1KMT2ASLC2A1HTR2AHTR2C
SCHEMBL4859525 0.72 SLC2A1 (0.63) MEN1KMT2ASLC2A1HTR2AHTR2C
SCHEMBL5206978 0.71 SLC5A1 (0.49) SLC2A1HTR2AHTR2CHTR2BHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US disclosed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US 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-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 MEN1 4833/4885KMT2A 2668/4885SLC2A1 3979/4885

“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.