SCHEMBL2932950

SCHEMBL2932950

NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
CES2 O00748 1/20 0.44
RBP4 P02753 1/20 0.42
HSD11B1 P28845 1/20 0.42
MGLL Q99685 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
SRD5A2 P31213 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL3430434 1.00 POLB (0.48) POLBLMNAHPGDCES2RBP4
SCHEMBL3430439 0.82 LMNA (0.47) POLBLMNAHPGDCES2RBP4
SCHEMBL2932952 0.82 LMNA (0.47) POLBLMNAHPGDCES2RBP4
SCHEMBL2930625 0.82 RORB (0.47)
SCHEMBL2925366 0.81 HCRTR1 (0.39)
SCHEMBL30524819 0.80 ALDH1A1 (0.40) LMNAKMT2AMEN1SMN1; SMN2CNR2
SCHEMBL2925013 0.76 HCRTR1 (0.52)
SCHEMBL3418131 0.76 HCRTR1 (0.52)
SCHEMBL3411961 0.76 CYP2C9 (0.41) LMNARBP4HSD11B1MGLL
SCHEMBL30524817 0.76 PDK2 (0.57) POLBLMNAHPGDRBP4HSD11B1

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
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 POLB 2990/4885LMNA 2207/4885HPGD 1029/4885

“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.