SCHEMBL4861066

SCHEMBL4861066

CN(C)C(=O)Cn1cc(C2CCN(C(=S)Nc3cccc(C(F)(F)F)c3)C2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 4/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
DRD4 P21917 1/20 0.41
POLB P06746 3/20 0.41
XBP1 P17861 1/20 0.41
GAA P10253 1/20 0.41
NPY2R P49146 1/20 0.41
GRIN2B Q13224 2/20 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
SCHEMBL5202530 0.74 ALDH1A1 (0.42) KMT2ALMNAALDH1A1KDM4EMAPT
SCHEMBL5204405 0.73 EPHX2 (0.49) MEN1KMT2ALMNAEPHX2MAPT
SCHEMBL4854494 0.72 HRH2 (0.46) KMT2ALMNAALDH1A1KDM4EMAPT
SCHEMBL5205820 0.72 HRH2 (0.42) KMT2AL3MBTL1LMNAMAPTTP53
SCHEMBL4851493 0.72 MEN1 (0.45) MEN1KMT2ARAB9ANPC1
SCHEMBL5206637 0.71 LMNA (0.44) MEN1KMT2AL3MBTL1LMNAEPHX2
SCHEMBL5206126 0.71 KMT2A (0.42) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL5202270 0.70 MAPT (0.43) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL5204533 0.69 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL5204500 0.69 TPSAB1 (0.47) KMT2AALDH1A1MAPTPOLB

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 MEN1 4833/4885KMT2A 2668/4885L3MBTL1 4007/4885

“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.