SCHEMBL9951234

SCHEMBL9951234

Cc1nnc(CCC2(c3ccccc3)CC2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)o1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL10241544 0.79 HSD11B1 (0.32) HSD11B1
SCHEMBL2117858 0.77 OPRK1 (0.43) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL2117864 0.77 OPRK1 (0.43) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9950322 0.77 OPRK1 (0.43) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9951170 0.77 CYP3A4 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9950738 0.77 CYP3A4 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9951521 0.75 HCRTR2 (0.40) HTT
SCHEMBL9951858 0.73 CYP3A4 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9951443 0.71 HSD11B1 (0.38) SMN1; SMN2HSD11B1
SCHEMBL2610407 0.70 OPRK1 (0.37) SMYD2CYP3A4HTTSMN1; SMN2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 SMYD2 1776/4885CYP3A4 2390/4885HTT 1672/4885

“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.