SCHEMBL9950438

SCHEMBL9950438

Cc1nn(C)c(=O)cc1OC[C@@]1(c2ccccc2)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 15/20 0.36
SMYD2 Q9NRG4 3/20 0.35
HCRTR1 O43613 13/20 0.34
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9950776 0.82 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL10188725 0.82 HCRTR2 (0.49) HCRTR2SMYD2HCRTR1CYP3A4HTT
SCHEMBL2119020 0.79 HCRTR1 (0.49) HCRTR2HCRTR1
SCHEMBL2119018 0.79 HCRTR1 (0.49) HCRTR2HCRTR1
SCHEMBL2119021 0.79 HCRTR1 (0.49) HCRTR2HCRTR1
SCHEMBL9950968 0.78 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL9951448 0.76 HCRTR2 (0.42) HCRTR2HCRTR1
SCHEMBL9951026 0.76 HCRTR2 (0.49) HCRTR2HCRTR1
SCHEMBL9950175 0.76 HCRTR2 (0.59) HCRTR2HCRTR1
SCHEMBL2610417 0.73 HCRTR1 (0.42) HCRTR2HCRTR1

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 HCRTR2 1/4885SMYD2 1776/4885HCRTR1 2/4885

“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.