SCHEMBL496624

SCHEMBL496624

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.30
NQO2 P16083 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL496625 1.00 FUCA1 (0.33) FUCA1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL2933021 0.90 PKM (0.37) FUCA1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL3409585 0.90 PKM (0.37) FUCA1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1340005 0.90 PKM (0.37) FUCA1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1340003 0.90 PKM (0.37) FUCA1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL2933019 0.90 PKM (0.37) FUCA1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL13451861 0.71 PKM (0.46) FUCA1
SCHEMBL13689126 0.70 GAA (0.38) FUCA1ALDH1A1MEN1KMT2A
SCHEMBL8351650 0.70 GAA (0.38) FUCA1ALDH1A1MEN1KMT2A
SCHEMBL13689100 0.70 GAA (0.38) FUCA1ALDH1A1MEN1KMT2A

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-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
EP-2164847-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-03-24 EP disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 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-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS HCRTR2, HCRTR1, OXTR FUCA1 4347/4885ALDH1A1 731/4885POLB 2609/4885

“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.