SCHEMBL1340002

SCHEMBL1340002

COc1ccccc1C(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1cccc2occc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.54
HCRTR2 O43614 9/20 0.45
ALDH1A1 P00352 1/20 0.39
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.37

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
SCHEMBL1339152 0.86 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1339339 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2930345 0.83 HCRTR1 (0.49) HCRTR1HCRTR2P2RX7KDM4E
SCHEMBL1339577 0.83 HCRTR1 (0.49) HCRTR1HCRTR2P2RX7KDM4E
SCHEMBL2930343 0.83 HCRTR1 (0.49) HCRTR1HCRTR2P2RX7KDM4E
SCHEMBL1398678 0.83 HCRTR1 (0.55) HCRTR1HCRTR2ALDH1A1
SCHEMBL1340523 0.79 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1LMNAHPGD
SCHEMBL1338111 0.78 HCRTR1 (0.77) HCRTR1HCRTR2
SCHEMBL1339871 0.76 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL1339449 0.76 HCRTR1 (0.75) HCRTR1HCRTR2

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-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
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 HCRTR1 1/4885HCRTR2 2/4885ALDH1A1 747/4885

“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.