SCHEMBL496343

SCHEMBL496343

CC1C[C@H]2CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c3cnc4sccn34)[C@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
RORC P51449 1/20 0.34
NAMPT P43490 3/20 0.32
ACKR3 P25106 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL497312 0.87 ACKR3 (0.35) HCRTR1HCRTR2RORCNAMPTACKR3
SCHEMBL2445978 0.87 ACKR3 (0.35) HCRTR1HCRTR2RORCNAMPTACKR3
SCHEMBL2450569 0.84 HCRTR1 (0.49) HCRTR1HCRTR2RORC
SCHEMBL496259 0.84 HCRTR1 (0.49) HCRTR1HCRTR2RORC
SCHEMBL497035 0.81 HCRTR1 (0.35) HCRTR1HCRTR2NAMPTKDM4EHPGD
SCHEMBL2442584 0.81 HCRTR1 (0.35) HCRTR1HCRTR2NAMPTKDM4EHPGD
SCHEMBL3415424 0.78 HCRTR1 (0.54) HCRTR1HCRTR2RORC
SCHEMBL1338342 0.78 KIT (0.40) RORCNAMPTACKR3KDM4E
SCHEMBL2930753 0.78 HCRTR1 (0.54) HCRTR1HCRTR2RORC
SCHEMBL2930755 0.78 HCRTR1 (0.54) HCRTR1HCRTR2RORC

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 US disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 US disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 US disclosed
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 US disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 US disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 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-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885RORC 307/4885

“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.