SCHEMBL2118280

SCHEMBL2118280

CC(C)(C)[Si](OC[C@H]1C[C@]1(C=O)c1cccc(F)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR2 P41597 1/20 0.34
SMYD2 Q9NRG4 3/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDM1A O60341 2/20 0.33
HCAR2 Q8TDS4 1/20 0.31
HSD11B1 P28845 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
BACE1 P56817 1/20 0.31
GRIN2B Q13224 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
SCHEMBL9950850 0.89 CYP3A4 (0.40) HTR2AHTR2CHTR2BCYP3A4HTT
SCHEMBL2117758 0.89 CYP3A4 (0.40) HTR2AHTR2CHTR2BCYP3A4HTT
SCHEMBL2118621 0.82 HTR2A (0.37) HTR2AHTR2CHTR2BCYP3A4HTT
SCHEMBL2118616 0.82 HTR2A (0.37) HTR2AHTR2CHTR2BCYP3A4HTT
SCHEMBL2610470 0.78 CCR2 (0.36) HTR2AHTR2CHTR2BCYP3A4HTT
SCHEMBL19689355 0.77 CYP3A4 (0.41) HTR2AHTR2CHTR2BCYP3A4HTT
SCHEMBL19689354 0.77 CYP3A4 (0.41) HTR2AHTR2CHTR2BCYP3A4HTT
SCHEMBL30158926 0.77 CYP3A4 (0.41) HTR2AHTR2CHTR2BCYP3A4HTT
SCHEMBL10188800 0.77 SMYD2 (0.37) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2610410 0.75 CYP3A4 (0.37) 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 4 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-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 (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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 HTR2A 129/4885HTR2C 109/4885HTR2B 101/4885

“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.