SCHEMBL2933413

SCHEMBL2933413

Cc1ccc(C(=O)N2C[C@H]3C[C@H]3[C@H]2C(N)=O)c(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORB Q92753 3/20 0.38
RORC P51449 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
S1PR5 Q9H228 1/20 0.36
DHODH Q02127 1/20 0.36
SLC9A1 P19634 1/20 0.35
CHRNA7 P36544 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL2924872 0.89 HDAC7 (0.36) HCRTR1HCRTR2SLC9A1CHRM3
SCHEMBL2930625 0.88 RORB (0.47) RORBRORCHCRTR1HCRTR2S1PR5
SCHEMBL2925061 0.87 HCRTR2 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL2929132 0.86 HCRTR1 (0.42) HCRTR1HCRTR2DHODH
SCHEMBL2926153 0.86 HDAC7 (0.44) HCRTR1HCRTR2CHRM3
SCHEMBL2933414 0.86 HCRTR1 (0.38) RORBRORCHCRTR1HCRTR2S1PR5
SCHEMBL2930271 0.85 CHRM1 (0.44) HCRTR1HCRTR2
SCHEMBL2925366 0.85 HCRTR1 (0.39) HCRTR1HCRTR2S1PR5CHRNA7TRPV1
SCHEMBL2925882 0.84 RXRA (0.33) HCRTR1HCRTR2TRPV1JAK2
SCHEMBL2931138 0.84 HCRTR1 (0.40) HCRTR1HCRTR2SLC9A1

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 4 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 claimed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US claimed
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 RORB 165/4885RORC 280/4885HCRTR1 1/4885

“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.