SCHEMBL2801596

SCHEMBL2801596

[CH2][C@H]1[C@H]2C[C@H]2CN1C(=O)c1ccsc1-c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.44
HCRTR1 O43613 13/20 0.44
HHAT Q5VTY9 1/20 0.34
GRM5 P41594 2/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD4 P21917 2/20 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
SCHEMBL2800495 0.86 POLB (0.34) HCRTR2HCRTR1
SCHEMBL3412360 0.85 HCRTR2 (0.41) HCRTR2HCRTR1GRM5
SCHEMBL3417284 0.85 HCRTR2 (0.41) HCRTR2HCRTR1GRM5
SCHEMBL3417285 0.85 HCRTR2 (0.41) HCRTR2HCRTR1GRM5
SCHEMBL3411958 0.85 HCRTR2 (0.41) HCRTR2HCRTR1GRM5
SCHEMBL1341088 0.84 HCRTR2 (0.44) HCRTR2HCRTR1GRM5
SCHEMBL1340420 0.84 HCRTR2 (0.44) HCRTR2HCRTR1GRM5
SCHEMBL3417288 0.84 HCRTR2 (0.44) HCRTR2HCRTR1GRM5
SCHEMBL2799399 0.84 HCRTR1 (0.42) HCRTR2HCRTR1HHATGRM5HTT
SCHEMBL3416042 0.80 PTGS1 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HCRTR2 2/4885HCRTR1 1/4885HHAT 4229/4885

“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.