SCHEMBL2930271

SCHEMBL2930271

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.44
HCRTR1 O43613 12/20 0.38
HCRTR2 O43614 12/20 0.38
BTK Q06187 1/20 0.35
CFD P00746 1/20 0.35
PDE4B Q07343 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2929613 0.92 CHRM1 (0.44) CHRM1HCRTR1HCRTR2CFDPDE4B
SCHEMBL2924872 0.92 HDAC7 (0.36) CHRM1HCRTR1HCRTR2
SCHEMBL2926153 0.89 HDAC7 (0.44) HCRTR1HCRTR2
SCHEMBL2925061 0.88 HCRTR2 (0.41) HCRTR1HCRTR2PDE4BRAB9A
SCHEMBL3415863 0.88 HCRTR2 (0.46) CHRM1HCRTR1HCRTR2CFDPDE4B
SCHEMBL3415862 0.88 HCRTR2 (0.46) CHRM1HCRTR1HCRTR2CFDPDE4B
SCHEMBL2931403 0.88 HCRTR2 (0.46) CHRM1HCRTR1HCRTR2CFDPDE4B
SCHEMBL2925882 0.86 RXRA (0.33) CHRM1HCRTR1HCRTR2
SCHEMBL2931138 0.86 HCRTR1 (0.40) HCRTR1HCRTR2BTKNPC1ALDH1A1
SCHEMBL2924235 0.86 POLB (0.39) HCRTR1HCRTR2ALDH1A1

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 CHRM1 139/4885HCRTR1 1/4885HCRTR2 2/4885

“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.