SCHEMBL4852934

SCHEMBL4852934

COCC(=O)N1CCC(c2cn(Cc3cccc(OC)c3)c3ccccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.50
MAPT P10636 2/20 0.47
HTR2A P28223 5/20 0.46
HTR2C P28335 5/20 0.46
HTR2B P41595 5/20 0.46
SLC2A1 P11166 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5205779 0.90 HRH2 (0.49) HRH2MAPTHTR2AHTR2CHTR2B
SCHEMBL5203370 0.90 HRH2 (0.47) HRH2MAPTHTR2AHTR2CHTR2B
SCHEMBL5204486 0.87 MAPT (0.54) HRH2MAPTHTR2AHTR2CHTR2B
SCHEMBL5457049 0.85 HRH2 (0.42) HRH2MAPTHTR2AHTR2CHTR2B
SCHEMBL5202293 0.85 THRB (0.49) HRH2MAPTHTR2AHTR2CHTR2B
SCHEMBL4859761 0.84 HRH2 (0.48) HRH2MAPTHTR2AHTR2CHTR2B
SCHEMBL4857604 0.84 MAPT (0.53) HRH2MAPTHTR2AHTR2CHTR2B
SCHEMBL5202181 0.82 HRH2 (0.49) HRH2MAPTHTR2AHTR2CHTR2B
SCHEMBL5203814 0.82 SMO (0.51) HRH2MAPTHTR2AHTR2CHTR2B
SCHEMBL5203382 0.82 MAPT (0.46) HRH2MAPTHTR2AHTR2CHTR2B

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 HRH2 973/4885MAPT 890/4885HTR2A 12/4885

“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.