SCHEMBL9951558

SCHEMBL9951558

COC=C[C@@]1(c2ccccc2)C[C@H]1CO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 4/20 0.35
MAOB P27338 8/20 0.34
PTGS2 P35354 1/20 0.33
MAOA P21397 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRM1 P35372 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL9951554 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BMAOBPTGS2
SCHEMBL10188806 0.83 PTGS2 (0.35) HTR2AHTR2CHTR2BMAOBPTGS2
SCHEMBL10241538 0.77 PTGS2 (0.37) HTR2AHTR2CHTR2BMAOBPTGS2
SCHEMBL9950042 0.74 CYP3A4 (0.36) HTR2AHTR2CHTR2BMAOB
SCHEMBL9950072 0.70
SCHEMBL9950074 0.70
SCHEMBL2118674 0.70 HCRTR1 (0.38)
SCHEMBL2118678 0.70 HCRTR1 (0.38)
SCHEMBL2118681 0.70 HCRTR1 (0.38)
SCHEMBL2610462 0.69 LMNA (0.35) HTR2AHTR2CHTR2BMAOBPTGS2

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 1 patent. 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

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 HTR2A 133/4885HTR2C 152/4885HTR2B 125/4885

“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.