SCHEMBL4854494

SCHEMBL4854494

COc1cccc(C(=O)N2CCC(c3cn(CC(=O)N(C)C)c4ccccc34)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.46
CCR5 P51681 1/20 0.45
HSD11B1 P28845 3/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
PROKR1 Q8TCW9 1/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
MGLL Q99685 1/20 0.43
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PDE2A O00408 1/20 0.42
PDE3A Q14432 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
SCHEMBL4851493 0.83 MEN1 (0.45) HRH2MGLLKMT2A
SCHEMBL5205820 0.83 HRH2 (0.42) HRH2UBE2MDCUN1D1LMNAKMT2A
SCHEMBL5204457 0.82 HTR2A (0.44) HRH2ALDH1A1LMNAHTR2AHTR2C
SCHEMBL4860552 0.81 HRH2 (0.46) HRH2ALDH1A1LMNAPROKR1KMT2A
SCHEMBL4857565 0.81 HDAC3 (0.46) HRH2CCR5HSD11B1UBE2MDCUN1D1
SCHEMBL4854486 0.79 ALDH1A1 (0.46) HRH2HSD11B1KDM4EALDH1A1KMT2A
SCHEMBL5202293 0.79 THRB (0.49) HRH2HSD11B1KDM4EALDH1A1LMNA
SCHEMBL5206637 0.79 LMNA (0.44) HRH2HSD11B1LMNAKMT2APDE2A
SCHEMBL5203382 0.77 MAPT (0.46) HRH2HSD11B1KDM4EALDH1A1LMNA
SCHEMBL5202530 0.76 ALDH1A1 (0.42) KDM4EALDH1A1LMNATSHRKMT2A

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 973/4885CCR5 961/4885HSD11B1 1144/4885

“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.