SCHEMBL2117858

SCHEMBL2117858

CC(C)(C)[Si](OC[C@@H]1C[C@@]1(CO)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.43
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMYD2 Q9NRG4 3/20 0.36
MAOB P27338 3/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
TOP2A P11388 1/20 0.30
SLC6A2 P23975 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
SCHEMBL9950322 1.00 OPRK1 (0.43) OPRK1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2117864 1.00 OPRK1 (0.43) OPRK1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2610407 0.92 OPRK1 (0.37) OPRK1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2118616 0.89 HTR2A (0.37) OPRK1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2118621 0.89 HTR2A (0.37) OPRK1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2120638 0.89 OPRK1 (0.35) OPRK1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2610410 0.88 CYP3A4 (0.37) OPRK1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9950738 0.87 CYP3A4 (0.39) OPRK1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9951170 0.87 CYP3A4 (0.39) OPRK1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2119184 0.83 HTT (0.35) OPRK1CYP3A4HTTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
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
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 OPRK1 95/4885CYP3A4 1479/4885HTT 939/4885
US-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 OPRK1 61/4885CYP3A4 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.