SCHEMBL4862005

SCHEMBL4862005

CCCc1ccc(C(=O)N2CCC(c3cn(Cc4ccc(Br)cc4)c4ccccc34)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
HRH3 Q9Y5N1 11/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC2A1 P11166 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH2 P25021 1/20 0.42

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
SCHEMBL4862016 0.89 SLC5A1 (0.49) SLC5A1SLC5A2HDAC3HDAC1HDAC2
SCHEMBL5205803 0.86 HRH2 (0.50) SLC5A1SLC5A2HDAC3HDAC1HDAC2
SCHEMBL5205820 0.81 HRH2 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5204138 0.79 MGLL (0.49) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5203757 0.77 NPC1 (0.57) L3MBTL1SLC2A1SMN1; SMN2HRH2
SCHEMBL4853409 0.77 SLC2A1 (0.50) SLC5A1SLC5A2HDAC3HDAC1HDAC2
SCHEMBL4859740 0.76 HTR2A (0.46) HRH2
SCHEMBL5204533 0.76 ALDH1A1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4862667 0.75 TSHR (0.47) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4853030 0.75 HDAC3 (0.46) SLC5A1SLC5A2HDAC3HDAC1HDAC2

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
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP 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 SLC5A1 4306/4885SLC5A2 4120/4885HDAC3 171/4885

“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.