SCHEMBL4854486

SCHEMBL4854486

CN(C)C(=O)Cn1cc(C2CCN(C(=O)c3ccccc3F)C2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HSD11B1 P28845 1/20 0.44
HRH2 P25021 4/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
GRIN2B Q13224 3/20 0.42
CYP1A2 P05177 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK14 Q16539 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4860552 0.91 HRH2 (0.46) ALDH1A1KMT2AHRH2GRIN2BL3MBTL1
SCHEMBL4851493 0.83 MEN1 (0.45) KMT2AMEN1HRH2
SCHEMBL5205820 0.83 HRH2 (0.42) KMT2AHRH2L3MBTL1
SCHEMBL5206637 0.82 LMNA (0.44) KMT2AMEN1HSD11B1HRH2L3MBTL1
SCHEMBL4854494 0.79 HRH2 (0.46) ALDH1A1KMT2AHSD11B1HRH2KDM4E
SCHEMBL5202530 0.79 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4E
SCHEMBL5206419 0.78 SMN1; SMN2 (0.49) ALDH1A1KMT2AMEN1HSD11B1HRH2
SCHEMBL5202510 0.76 HSD11B1 (0.55) ALDH1A1KMT2AHSD11B1HRH2CYP2C9
SCHEMBL5204405 0.74 EPHX2 (0.49) KMT2AMEN1
SCHEMBL4861066 0.74 MEN1 (0.46) ALDH1A1KMT2AMEN1KDM4EGRIN2B

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 ALDH1A1 755/4885KMT2A 2668/4885MEN1 4833/4885

“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.