SCHEMBL4859877

SCHEMBL4859877

O=C(CN1CCC(c2cn(Cc3ccc(F)c(F)c3)c3ccccc23)C1)Nc1csc(C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.42
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
HTR2B P41595 5/20 0.40
SIGMAR1 Q99720 2/20 0.38
SLC2A1 P11166 1/20 0.38
ENPP2 Q13822 1/20 0.38
DRD2 P14416 1/20 0.37
HTR6 P50406 1/20 0.37

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 0.67 SLC2A1 (0.50) HRH2HTR2AHTR2CHTR2BSLC2A1
SCHEMBL5206008 0.67 HRH2 (0.41) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL5345189 0.66 HRH2 (0.70) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL4857534 0.64 DRD4 (0.40) HRH2
SCHEMBL5202270 0.64 MAPT (0.43)
SCHEMBL5240385 0.63 SLC5A1 (0.52) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL5354833 0.63 HRH2 (0.67) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL6780420 0.63 DRD2 (0.59) HRH2HTR2AHTR2CHTR2BDRD2
SCHEMBL4859827 0.62 SLC2A1 (0.61) HRH2HTR2AHTR2CHTR2BSLC2A1
SCHEMBL5350367 0.62 HRH2 (0.71) HRH2HTR2AHTR2CHTR2B

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 973/4885HTR2A 12/4885HTR2C 7/4885

“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.