SCHEMBL2800495

SCHEMBL2800495

[CH2][C@H]1[C@H]2C[C@H]2CN1C(=O)c1ccsc1-c1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
PTGS2 P35354 1/20 0.33
HCRTR2 O43614 17/20 0.33
HCRTR1 O43613 13/20 0.33

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
SCHEMBL3416042 0.88 PTGS1 (0.37) PTGS2HCRTR2HCRTR1
SCHEMBL2801596 0.86 HCRTR2 (0.44) HCRTR2HCRTR1
SCHEMBL2799729 0.84 POLB (0.38) POLBPTGS2HCRTR2HCRTR1
SCHEMBL1340215 0.83 HCRTR2 (0.33) POLBPTGS2HCRTR2HCRTR1
SCHEMBL2803127 0.82 HCRTR1 (0.41) POLBPTGS2HCRTR2HCRTR1
SCHEMBL1340767 0.76 HCRTR1 (0.39) POLBHCRTR2HCRTR1
SCHEMBL1340770 0.76 HCRTR1 (0.39) POLBHCRTR2HCRTR1
SCHEMBL3416045 0.76 PTGS1 (0.40) PTGS2HCRTR2HCRTR1
SCHEMBL1340333 0.74 HCRTR1 (0.42) POLBHCRTR2HCRTR1
SCHEMBL1340331 0.74 HCRTR1 (0.42) POLBHCRTR2HCRTR1

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 POLB 3512/4885PTGS2 3248/4885HCRTR2 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.