SCHEMBL1021893

SCHEMBL1021893

O=C(NS(=O)(=O)N1CCC(F)(F)CC1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.77
CNR2 P34972 7/20 0.61
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MMP14 P50281 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41

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
SCHEMBL3562619 0.88 CNR1 (0.76) CNR1CNR2CA1CA2ALDH1A1
SCHEMBL1022761 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL1025584 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL1023263 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL16340252 0.87 CNR1 (0.65) CNR1CNR2CA1CA2ALDH1A1
SCHEMBL4306103 0.85 CNR1 (0.83) CNR1CNR2ALDH1A1LMNA
SCHEMBL4304848 0.82 CNR1 (0.90) CNR1CNR2
SCHEMBL1022762 0.81 CNR1 (0.75) CNR1CNR2
SCHEMBL12794072 0.81 CNR1 (0.75) CNR1CNR2
SCHEMBL1025583 0.81 CNR1 (0.75) CNR1CNR2

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-20110053983-A1 (5R)-1,5-DIARYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDINE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 US disclosed
EP-2274298-A1 (5R)-1,5-DIARYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDINE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY Abbott Healthcare Products B.V. (NL) 2011-01-19 EP disclosed
WO-2009130234-A1 (5R)-1,5-DIARYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDINE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2009-10-29 WO 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-20110053983-A1 (5R)-1,5-DIARYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDINE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY CNR1, CNR2, HTR5A CNR1 1/4885CNR2 2/4885CA1 2219/4885

“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.