SCHEMBL4857600

SCHEMBL4857600

COc1cccc(Cn2cc(C3CCN(C=CC(=O)c4ccccc4)C3)c3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.49
HTR2C P28335 6/20 0.49
HTR2B P41595 6/20 0.49
HRH2 P25021 7/20 0.48
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 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
SCHEMBL4857604 0.81 MAPT (0.53) HTR2AHTR2CHTR2BHRH2MAPT
SCHEMBL5205779 0.80 HRH2 (0.49) HTR2AHTR2CHTR2BHRH2MAPT
SCHEMBL4852934 0.79 HRH2 (0.50) HTR2AHTR2CHTR2BHRH2MAPT
SCHEMBL5202293 0.79 THRB (0.49) HTR2AHTR2CHTR2BHRH2MAPT
SCHEMBL4859761 0.78 HRH2 (0.48) HTR2AHTR2CHTR2BHRH2MAPT
SCHEMBL5203370 0.78 HRH2 (0.47) HTR2AHTR2CHTR2BHRH2MAPT
SCHEMBL5202233 0.78 HRH2 (0.41) HTR2AHTR2CHTR2BHRH2MAPT
SCHEMBL4858049 0.77 MEN1 (0.52) HTR2AHTR2CMAPTPOLBALDH1A1
SCHEMBL5204486 0.76 MAPT (0.54) HTR2AHTR2CHTR2BHRH2MAPT
SCHEMBL5203382 0.76 MAPT (0.46) HTR2AHTR2CHTR2BHRH2MAPT

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
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
EP-1654253-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2006-05-10 EP disclosed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US disclosed
WO-2005019208-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2005-03-03 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-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 HTR2A 12/4885HTR2C 7/4885HTR2B 29/4885

“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.