SCHEMBL2610462

SCHEMBL2610462

[3H]OC[C@@H]1C[C@@]1(C=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
SLC6A4 P31645 9/20 0.34
PTGS2 P35354 1/20 0.34
OPRK1 P41145 1/20 0.33
SLC6A2 P23975 10/20 0.33
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
MAOB P27338 1/20 0.33
SLC6A3 Q01959 6/20 0.32
CYP2D6 P10635 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
SCHEMBL10241538 0.90 PTGS2 (0.37) LMNASLC6A4PTGS2SLC6A2HTR2C
SCHEMBL10188806 0.72 PTGS2 (0.35) SLC6A4PTGS2OPRK1SLC6A2HTR2C
SCHEMBL13720499 0.71 TSHR (0.40) LMNACYP2D6HTT
SCHEMBL4022057 0.71 TSHR (0.40) LMNACYP2D6HTT
SCHEMBL13045928 0.70 KCNH2 (0.39) MAOB
SCHEMBL9951558 0.69 HTR2A (0.35) PTGS2OPRK1HTR2CHTR2AHTR2B
SCHEMBL9951554 0.69 HTR2A (0.35) PTGS2OPRK1HTR2CHTR2AHTR2B
SCHEMBL16638921 0.67 SLC6A2 (0.31) SLC6A2
SCHEMBL27544386 0.66 MAOB (0.34) LMNAMAOBHTTSMN1; SMN2
SCHEMBL4689210 0.66 MAOB (0.33) HTR2CHTR2AHTR2BMAOB

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-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 LMNA 3446/4885SLC6A4 370/4885PTGS2 2258/4885

“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.