SCHEMBL2929656

SCHEMBL2929656

Cc1ccc(C(=O)N2C[C@H]3C[C@H]3[C@H]2C(N)=O)c(-c2ccc(F)c(C)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.37
HCRTR1 O43613 6/20 0.37
SLC9A1 P19634 1/20 0.33
MPL P40238 1/20 0.33
GRIN2B Q13224 1/20 0.33
HPGDS O60760 1/20 0.32
POLB P06746 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PIK3CA P42336 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2926251 0.92 HCRTR2 (0.39) HCRTR2HCRTR1MPLPIK3CA
SCHEMBL2931970 0.89 GRM2 (0.37) HCRTR2HCRTR1POLB
SCHEMBL2924235 0.88 POLB (0.39) HCRTR2HCRTR1POLBPIK3CA
SCHEMBL2925061 0.86 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL2924872 0.85 HDAC7 (0.36) HCRTR2HCRTR1SLC9A1POLB
SCHEMBL2929658 0.85 HCRTR2 (0.36) HCRTR2HCRTR1GRIN2BCYP3A4
SCHEMBL2926153 0.84 HDAC7 (0.44) HCRTR2HCRTR1POLB
SCHEMBL2930271 0.84 CHRM1 (0.44) HCRTR2HCRTR1
SCHEMBL2928147 0.84 HCRTR1 (0.36) HCRTR2HCRTR1GRIN2BPIK3CACYP3A4
SCHEMBL2928983 0.84 GRM2 (0.40) HCRTR2HCRTR1POLB

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 HCRTR2 2/4885HCRTR1 1/4885SLC9A1 792/4885

“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.