SCHEMBL5487616

SCHEMBL5487616

CCc1ccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
SLC5A2 P31639 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRM5 P41594 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL27314770 0.83 CYSLTR1 (0.35) RXRAGRIN1GRIN2B
SCHEMBL11934179 0.82 TP53 (0.42) KMT2AMEN1MAPTRXRA
SCHEMBL1730850 0.82 TRPV6 (0.33)
SCHEMBL5486504 0.82 NLRP3 (0.41) KMT2AMEN1MAPT
SCHEMBL3598538 0.82 GABRP (0.40)
SCHEMBL14449077 0.81 KDM1A (0.41) KMT2AMEN1LMNAMAPTGRM5
SCHEMBL6223058 0.80 GABRP (0.42) LMNACYP1A2
SCHEMBL5490136 0.80 KDM4E (0.31)
SCHEMBL1314001 0.78 AGXT (0.42) LMNAMAPTCYP2D6
SCHEMBL1728926 0.78 MEN1 (0.33) KMT2AMEN1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 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 (2 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 KMT2A 2082/4885MEN1 891/4885LMNA 3366/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 KMT2A 2110/4885MEN1 859/4885LMNA 3368/4885

“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.