SCHEMBL1730850

SCHEMBL1730850

CC(C)(C)[Si](OCc1ccc(Br)nc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.33
CYP11B1 P15538 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM2 Q14416 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
CYP3A4 P08684 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SMYD2 Q9NRG4 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
SCHEMBL14449077 0.84 KDM1A (0.41) TRPV6NPSR1HTTSMN1; SMN2
SCHEMBL5486504 0.83 NLRP3 (0.41)
SCHEMBL3598538 0.83 GABRP (0.40)
SCHEMBL4587307 0.82 IDO1 (0.42) NPSR1HTTSMN1; SMN2
SCHEMBL5487616 0.82 KMT2A (0.36)
SCHEMBL22774158 0.81 SMYD2 (0.32) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL5490136 0.81 KDM4E (0.31)
SCHEMBL2901818 0.80 AR (0.38) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL1314001 0.80 AGXT (0.42) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL1728926 0.80 MEN1 (0.33) CYP3A4HTTSMN1; SMN2SMYD2

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
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
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
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP 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 TRPV6 838/4885CYP11B1 1127/4885SIRT2 395/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 TRPV6 836/4885CYP11B1 1125/4885SIRT2 394/4885

“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.