SCHEMBL1340238

SCHEMBL1340238

Cc1nc2sccn2c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.54
HCRTR2 O43614 3/20 0.54
MAPK1 P28482 1/20 0.41
RORC P51449 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
SCHEMBL3415424 1.00 HCRTR1 (0.54) HCRTR1HCRTR2MAPK1RORC
SCHEMBL2930753 1.00 HCRTR1 (0.54) HCRTR1HCRTR2MAPK1RORC
SCHEMBL2930755 1.00 HCRTR1 (0.54) HCRTR1HCRTR2MAPK1RORC
SCHEMBL496259 0.95 HCRTR1 (0.49) HCRTR1HCRTR2MAPK1RORC
SCHEMBL2450569 0.95 HCRTR1 (0.49) HCRTR1HCRTR2MAPK1RORC
SCHEMBL2447646 0.91 HCRTR1 (0.45) HCRTR1HCRTR2MAPK1
SCHEMBL496234 0.91 HCRTR1 (0.45) HCRTR1HCRTR2MAPK1
SCHEMBL1398781 0.81 HCRTR1 (0.47) HCRTR1HCRTR2MAPK1
SCHEMBL983349 0.81 HCRTR1 (0.42) HCRTR1HCRTR2MAPK1
SCHEMBL2931770 0.81 HCRTR1 (0.38) 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 5 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
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO 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 2/4885MAPK1 2380/4885

“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.