SCHEMBL13744899

SCHEMBL13744899

Cc1c(C(N)=O)cc(-c2ccccc2OC(F)(F)F)n1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.44
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
NOTUM Q6P988 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3927864 0.91 NOTUM (0.51) SCN9ACNR1CNR2NOTUMALDH1A1
SCHEMBL3928217 0.86 NOTUM (0.46) CNR1CNR2NOTUMALDH1A1HTT
SCHEMBL3922283 0.84 CNR1 (0.50) CNR1CNR2ALDH1A1HTTSMN1; SMN2
SCHEMBL3927996 0.82 CNR1 (0.52) CNR1CNR2ALDH1A1HTTSMN1; SMN2
SCHEMBL3931096 0.82 CNR1 (0.48) CNR1
SCHEMBL3929723 0.82 CNR1 (0.48) CNR1
SCHEMBL13717885 0.81 CNR1 (0.62) CNR1CNR2
SCHEMBL13717162 0.79 CNR1 (0.66) CNR1CNR2ALDH1A1HTT
SCHEMBL4372532 0.77 ALDH1A1 (0.48) SCN9AALDH1A1HTTSMN1; SMN2
SCHEMBL4371558 0.77 ALDH1A1 (0.48) SCN9AALDH1A1HTTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 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-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 SCN9A 739/4885CNR1 1/4885CNR2 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.