SCHEMBL4860077

SCHEMBL4860077

O=C(c1cccc(SC(F)F)c1)N1CCC(c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
HRH2 P25021 6/20 0.41
F10 P00742 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CHRM2 P08172 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5203686 0.81 SLC5A1 (0.49) SLC2A1SLC5A1SLC5A2HTR2AHTR2C
SCHEMBL5206978 0.78 SLC5A1 (0.49) SLC2A1SLC5A1SLC5A2HTR2AHTR2C
SCHEMBL5204299 0.75 SLC5A1 (0.47) SLC2A1SLC5A1SLC5A2HTR2AHTR2C
SCHEMBL5204227 0.75 SLC2A1 (0.46) SLC2A1HTR2AHTR2CHTR2BHRH2
SCHEMBL4857565 0.74 HDAC3 (0.46) SLC2A1SLC5A1SLC5A2HTR2AHTR2C
SCHEMBL4853409 0.74 SLC2A1 (0.50) SLC2A1SLC5A1SLC5A2HTR2AHTR2C
SCHEMBL3615414 0.73 SLC2A1 (0.64) SLC2A1SLC5A1SLC5A2HTR2AHTR2C
SCHEMBL5202293 0.72 THRB (0.49) SLC2A1HTR2AHTR2CHTR2BHRH2
SCHEMBL4853030 0.72 HDAC3 (0.46) SLC2A1SLC5A1SLC5A2HTR2AHTR2C
SCHEMBL5206911 0.71 SLC2A1 (0.57) 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 6 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 claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US claimed
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 SLC2A1 3979/4885SLC5A1 4306/4885SLC5A2 4120/4885

“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.