SCHEMBL2932952

SCHEMBL2932952

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HSD11B1 P28845 1/20 0.44
CES2 O00748 1/20 0.43
RBP4 P02753 1/20 0.42
MGLL Q99685 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
GRIN2C Q14957 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
SCHEMBL3430439 1.00 LMNA (0.47) LMNAPOLBHPGDHSD11B1CES2
SCHEMBL3430434 0.82 POLB (0.48) LMNAPOLBHPGDHSD11B1CES2
SCHEMBL2932950 0.82 POLB (0.48) LMNAPOLBHPGDHSD11B1CES2
SCHEMBL2930629 0.82 RORB (0.46)
SCHEMBL2925368 0.80 HCRTR1 (0.41)
SCHEMBL2933414 0.79 HCRTR1 (0.38)
SCHEMBL1398791 0.78 LMNA (0.54) LMNAPOLBHPGDHSD11B1CES2
SCHEMBL3418134 0.77 HCRTR1 (0.51)
SCHEMBL3411966 0.76 HTR2B (0.43) LMNARBP4MGLL
SCHEMBL2931383 0.76 HCRTR1 (0.48)

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 LMNA 2207/4885POLB 2990/4885HPGD 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.