SCHEMBL3459795

SCHEMBL3459795

[CH2][C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(C)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.46
HCRTR1 O43613 15/20 0.42
HCRTR2 O43614 15/20 0.42
CYP46A1 Q9Y6A2 1/20 0.39
CHRM3 P20309 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL3460327 0.91 HCRTR1 (0.45) HDAC7HCRTR1HCRTR2CYP46A1
SCHEMBL2926153 0.84 HDAC7 (0.44) HDAC7HCRTR1HCRTR2CYP46A1CHRM3
SCHEMBL2926155 0.83 HDAC7 (0.43) HDAC7HCRTR1HCRTR2CYP46A1CHRM3
SCHEMBL3459632 0.78 FABP4 (0.40) HCRTR1HCRTR2CYP46A1
SCHEMBL2924235 0.77 POLB (0.39) HDAC7HCRTR1HCRTR2CYP46A1
SCHEMBL2924872 0.76 HDAC7 (0.36) HDAC7HCRTR1HCRTR2CHRM3
SCHEMBL2801596 0.76 HCRTR2 (0.44) HCRTR1HCRTR2
SCHEMBL2924236 0.76 KDM1A (0.35) HDAC7HCRTR1HCRTR2CYP46A1
SCHEMBL2924875 0.76 HCRTR2 (0.37) HDAC7HCRTR1HCRTR2CYP46A1CHRM3
SCHEMBL2928729 0.75 HCRTR1 (0.42) HDAC7HCRTR1HCRTR2CYP46A1

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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HDAC7 579/4885HCRTR1 1/4885HCRTR2 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.