SCHEMBL2925366

SCHEMBL2925366

Cc1cccc(C(=O)N2C[C@H]3C[C@H]3[C@H]2C(N)=O)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.39
HCRTR2 O43614 4/20 0.38
CHRNA7 P36544 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PARP1 P09874 1/20 0.36
JAK2 O60674 1/20 0.36
KIF11 P52732 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL2930625 0.87 RORB (0.47) HCRTR1HCRTR2TRPV1PARP1KIF11
SCHEMBL2931039 0.87 HCRTR2 (0.39) HCRTR1HCRTR2
SCHEMBL2925368 0.86 HCRTR1 (0.41) HCRTR1HCRTR2CHRNA7TRPV1S1PR5
SCHEMBL2925421 0.85 CFD (0.43) HCRTR1HCRTR2
SCHEMBL2933413 0.85 RORB (0.38) HCRTR1HCRTR2CHRNA7TRPV1JAK2
SCHEMBL2924242 0.85 FABP4 (0.42) HCRTR1HCRTR2
SCHEMBL2930073 0.85 PDE4B (0.37) HCRTR1HCRTR2
SCHEMBL2928147 0.84 HCRTR1 (0.36) HCRTR1HCRTR2CHRNA7
SCHEMBL2933638 0.83 NPC1 (0.39) HCRTR1HCRTR2TRPV1PARP1
SCHEMBL2931912 0.82 APOB (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 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 HCRTR1 1/4885HCRTR2 2/4885CHRNA7 44/4885

“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.