SCHEMBL4860552

SCHEMBL4860552

CN(C)C(=O)Cn1cc(C2CCN(C(=O)c3c(F)cccc3F)C2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.46
GRIN2B Q13224 4/20 0.42
SLC2A1 P11166 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.39
APLNR P35414 2/20 0.39
EED O75530 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL4854486 0.91 ALDH1A1 (0.46) HRH2GRIN2BALDH1A1KMT2AL3MBTL1
SCHEMBL5205820 0.83 HRH2 (0.42) HRH2KMT2ALMNAMAPTRAB9A
SCHEMBL4851493 0.83 MEN1 (0.45) HRH2KMT2ARAB9A
SCHEMBL5206637 0.82 LMNA (0.44) HRH2KMT2ALMNAL3MBTL1
SCHEMBL4854494 0.81 HRH2 (0.46) HRH2ALDH1A1KMT2ALMNAPROKR1
SCHEMBL5202530 0.79 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAMAPT
SCHEMBL4861066 0.76 MEN1 (0.46) GRIN2BALDH1A1KMT2ALMNAMAPT
SCHEMBL5204405 0.74 EPHX2 (0.49) KMT2ACYP2D6HRH1KCNH2LMNA
SCHEMBL5206978 0.74 SLC5A1 (0.49) HRH2SLC2A1ALDH1A1LMNA
SCHEMBL4859493 0.74 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAMAPTRORC

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 973/4885GRIN2B 50/4885SLC2A1 3979/4885

“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.